Geometry & MOs

Info

ID:

93832

PubChem CID:

49997076

Reduced:

O4N5C31H43 (1)

Stoich.:

A4B5C31D43 (1)

Weight, g/mol:

548.336256

ΔHf, kcal/mol:

-171.62

Dipole, Da:

6.55

IP(EA), eV:

 -9.09(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)N(CC)CC

DOS

IR

Vibrations