Geometry & MOs

Info

ID:	234961
PubChem CID:	92303791
Reduced:	OCl2N2C23H26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	416.142219
ΔH_f, kcal/mol:	-33.97
Dipole, Da:	7.7
IP(EA), eV:	-8.45(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C[C@@H](C1=CC(=C(C=C1)Cl)Cl)C2=CNC3=C(C=CC=C23)CC

DOS

IR

Vibrations