Geometry & MOs

Info

ID:	235110
PubChem CID:	92304054
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-69.97
Dipole, Da:	4.71
IP(EA), eV:	-8.41(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzodioxol-4-yl)-N-butyl-3-(1H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C[C@@H](C1=C2C(=CC=C1)OCO2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations