Geometry & MOs

Info

ID:	413230
PubChem CID:	135086177
Reduced:	BO2C21H31 (1)
Stoich.:	AB2C21D31 (1)
Weight, g/mol:	212.143925
ΔH_f, kcal/mol:	-168.31
Dipole, Da:	3.2
IP(EA), eV:	-9.03(0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-cyclohexylisoquinolin-2-ium

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C\CC2=CC=CC=C2)/C3CCCCC3

DOS

IR

Vibrations