Geometry & MOs

Info

ID:	235198
PubChem CID:	92304211
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	406.225643
ΔH_f, kcal/mol:	-9.07
Dipole, Da:	12.16
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)-N-(3-methylbutyl)propanamide

Drug info:

PubChemData

Smile

CN(C)/C=C/C(=C/[N+](=O)[O-])/NC1=CC=C(C=C1)OC

DOS

IR

Vibrations