Geometry & MOs

Info

ID:	413307
PubChem CID:	135086255
Reduced:	OSSiC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	206.096974
ΔH_f, kcal/mol:	6.47
Dipole, Da:	2.38
IP(EA), eV:	-8.87(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-phenylisoquinolin-2-ium

Drug info:

PubChemData

Smile

C[Si](C)(C)C#CC(C1=CC=CC=C1)(C2=CC=CS2)O

DOS

IR

Vibrations