Geometry & MOs

Info

ID:	234866
PubChem CID:	92303624
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	5.57
IP(EA), eV:	-8.39(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2,4-dimethoxyphenyl)-N-hexyl-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations