Geometry & MOs

Info

ID:	411332
PubChem CID:	135084155
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-49.78
Dipole, Da:	1.54
IP(EA), eV:	-9.3(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,3E)-2-diazonio-1-methoxy-4-(4-methylphenyl)buta-1,3-dien-1-olate

Drug info:

PubChemData

Smile

CCC(C/C(=C/CCC1=CC=CC=C1)/C)O

DOS

IR

Vibrations