Geometry & MOs

Info

ID:

428587

PubChem CID:

135167701

Reduced:

F3N4O4C30H39 (1)

Stoich.:

A3B4C4D30E39 (1)

Weight, g/mol:

462.299476

ΔHf, kcal/mol:

-329.08

Dipole, Da:

7.86

IP(EA), eV:

 -7.91(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=C2C=CC(=C3)OC(C)C)[C@@H](C)C4CCN(CC4)CC(F)(F)F)C)OC

DOS

IR

Vibrations