Geometry & MOs

Info

ID:	46168
PubChem CID:	10522764
Reduced:	ClNO2C21H30 (1)
Stoich.:	ABC2D21E30 (1)
Weight, g/mol:	237.139174
ΔH_f, kcal/mol:	-98.34
Dipole, Da:	5.86
IP(EA), eV:	-8.5(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-8,9,10,11-tetrahydro-7H-pyrido[2,3-a]carbazol-1-ium

Drug info:

PubChemData

Smile

CCC[NH2+]C(C)CC1=CC(=C(C=C1)OC)OCCC2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations