Geometry & MOs

Info

ID:	413562
PubChem CID:	135086511
Reduced:	ClN3C4H12 (1)
Stoich.:	AB3C4D12 (1)
Weight, g/mol:	227.069477
ΔH_f, kcal/mol:	-30.76
Dipole, Da:	8.59
IP(EA), eV:	-9.74(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3E)-4-(4-cyanophenyl)-2-diazonio-1-methoxybuta-1,3-dien-1-olate

Drug info:

PubChemData

Smile

CC(C)[NH+]=C(N)N.[Cl-]

DOS

IR

Vibrations