Geometry & MOs

Info

ID:	410941
PubChem CID:	135083744
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	219.113353
ΔH_f, kcal/mol:	-31.94
Dipole, Da:	5.38
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl N-(3,4-dihydroisoquinolin-2-ium-2-yl)carbamate

Drug info:

PubChemData

Smile

CCO/C(=N/[N+]1=CC2=CC=CC=C2CC1)/[O-]

DOS

IR

Vibrations