Geometry & MOs

Info

ID:	391767
PubChem CID:	135009347
Reduced:	O2N4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	330.145381
ΔH_f, kcal/mol:	3.97
Dipole, Da:	4.75
IP(EA), eV:	-9.65(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-2-ethoxy-1-(2-ethoxycarbonyl-3-methyl-1H-isoquinolin-1-yl)-2-hydroxyethenediazonium

Drug info:

PubChemData

Smile

C[C@@H](CN=[N+]=[N-])N(CC#C)C(=O)OC(C)(C)C

DOS

IR

Vibrations