Geometry & MOs

Info

ID:	234799
PubChem CID:	92303518
Reduced:	ClN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	382.181191
ΔH_f, kcal/mol:	-47.17
Dipole, Da:	6.4
IP(EA), eV:	-8.76(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-chlorophenyl)-N-hexyl-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

COCCCNC(=O)C[C@H](C1=CC=C(C=C1)Cl)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations