Geometry & MOs

Info

ID:	413311
PubChem CID:	135086259
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	212.143925
ΔH_f, kcal/mol:	-37.79
Dipole, Da:	3.65
IP(EA), eV:	-9.47(0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-cyclohexylisoquinolin-2-ium

Drug info:

PubChemData

Smile

C/C(=C\C(C)(C)C)/C(=O)NCC1=CC=CC=C1

DOS

IR

Vibrations