Geometry & MOs

Info

ID:	235033
PubChem CID:	92303920
Reduced:	OCl2N2C23H26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	416.142219
ΔH_f, kcal/mol:	-36.93
Dipole, Da:	0.78
IP(EA), eV:	-8.34(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@@H](CC(=O)NCC(C)C)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations