Geometry & MOs

Info

ID:	235292
PubChem CID:	92304360
Reduced:	N2O3C25H32 (1)
Stoich.:	A2B3C25D32 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-97.73
Dipole, Da:	6.07
IP(EA), eV:	-8.49(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)C[C@H](C1=CC(=CC(=C1)OC)OC)C2=CN(C3=CC=CC=C32)CC

DOS

IR

Vibrations