Geometry & MOs

Info

ID:	235295
PubChem CID:	92304365
Reduced:	ON3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	383.199762
ΔH_f, kcal/mol:	28.06
Dipole, Da:	4.53
IP(EA), eV:	-8.55(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@@H](CC(=O)NCC2=CC=NC=C2)C3=CNC4=CC=CC=C43)C

DOS

IR

Vibrations