Geometry & MOs

Info

ID:	413139
PubChem CID:	135086083
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	236.107539
ΔH_f, kcal/mol:	-82.6
Dipole, Da:	5.3
IP(EA), eV:	-8.83(0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(4-methoxyphenyl)isoquinolin-2-ium

Drug info:

PubChemData

Smile

CCC/C(=C\C1=CC=C(C=C1)OC)/C(=O)NCC(C)C

DOS

IR

Vibrations