Geometry & MOs

Info

ID:	176897
PubChem CID:	76108110
Reduced:	N2O2C29H44 (1)
Stoich.:	A2B2C29D44 (1)
Weight, g/mol:	290.129337
ΔH_f, kcal/mol:	-120.78
Dipole, Da:	4.13
IP(EA), eV:	-8.72(0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-methyl-2-(4-methylphenyl)-3aH-pyrazolo[4,3-c]isoquinolin-4-ium-3-one

Drug info:

PubChemData

Smile

CC(CNC(=O)OCC1=CC=CC=C1)C2CCC3C2(CCC4C3CCC5C4(CCCN5)C)C

DOS

IR

Vibrations