Geometry & MOs

Info

ID:	441418
PubChem CID:	135234583
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	363.228382
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	3.85
IP(EA), eV:	-8.68(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl N-[1-(3,3-diethoxypropyl)-2,3-dimethylindol-1-ium-3-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)C1(C(=NC2=C1C3=CC=CC=C3C=C2)C)C

DOS

IR

Vibrations