Geometry & MOs

Info

ID:	235302
PubChem CID:	92304375
Reduced:	N3O6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	390.267114
ΔH_f, kcal/mol:	-26.96
Dipole, Da:	10.29
IP(EA), eV:	-8.73(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1-ethylindol-3-yl)-N-hexyl-3-(4-methylphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C(=CC(=C4)[N+](=O)[O-])OC)[N+](=O)[O-]

DOS

IR

Vibrations