Geometry & MOs

Info

ID:	235114
PubChem CID:	92304061
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	354.149891
ΔH_f, kcal/mol:	-67.73
Dipole, Da:	2.82
IP(EA), eV:	-8.31(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2R)-butan-2-yl]-3-(2-chlorophenyl)-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@H](CC(=O)NCCN(C)C)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations