Geometry & MOs

Info

ID:	393317
PubChem CID:	135020087
Reduced:	NH6C8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	126.02
Dipole, Da:	3.04
IP(EA), eV:	-8.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E)-1-ethoxy-N-ethoxycarbonyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)methanehydrazonate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1C#CC3=CC=CC=C3

DOS

IR

Vibrations