Geometry & MOs

Info

ID:

168842

PubChem CID:

75026537

Reduced:

N32O34C117H192 (1)

Stoich.:

A32B34C117D192 (1)

Weight, g/mol:

445.272927

ΔHf, kcal/mol:

-1711.63

Dipole, Da:

17.14

IP(EA), eV:

 -9.01(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-cyclohexyl-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(C(C)O)NC(=O)CNC(=O)CNC(=O)C(C(C)CC)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC2=CN=CN2)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(C)C)NC(=O)C

DOS

IR

Vibrations