Geometry & MOs

Info

ID:	235032
PubChem CID:	92303917
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	416.142219
ΔH_f, kcal/mol:	-115.12
Dipole, Da:	5.5
IP(EA), eV:	-8.18(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCNC(=O)C[C@H](C1=C(C=C(C=C1)OC)OC)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations