Geometry & MOs

Info

ID:	235288
PubChem CID:	92304349
Reduced:	ON2C26H32 (1)
Stoich.:	AB2C26D32 (1)
Weight, g/mol:	382.181191
ΔH_f, kcal/mol:	-27.51
Dipole, Da:	1.59
IP(EA), eV:	-8.26(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-butyl-3-(4-chlorophenyl)-3-(1-ethylindol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCN1C=C(C2=CC=CC=C21)[C@@H](CC(=O)NC3CCCCC3)C4=CC=C(C=C4)C

DOS

IR

Vibrations