Geometry & MOs

Info

ID:	411368
PubChem CID:	135084191
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	236.035255
ΔH_f, kcal/mol:	-139.39
Dipole, Da:	2.24
IP(EA), eV:	-10.39(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC/C=C/C(=O)CC(=O)OCC

DOS

IR

Vibrations