Geometry & MOs

Info

ID:	46482
PubChem CID:	10524635
Reduced:	NSiO4C21H35 (1)
Stoich.:	ABC4D21E35 (1)
Weight, g/mol:	394.13223
ΔH_f, kcal/mol:	-233.73
Dipole, Da:	1.28
IP(EA), eV:	-9.06(0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-methyl-1H-pyrazol-3-yl)isoquinolin-2-ium

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](O1)[C@@H](N[C@@H]([C@H]2O[Si](C)(C)C(C)(C)C)CO)C3=CC=CC=C3)C

DOS

IR

Vibrations