Geometry & MOs

Info

ID:	89425
PubChem CID:	49961635
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	321.122575
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	5.72
IP(EA), eV:	-8.99(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-cyano-2-[(4-phenyldiazenylphenyl)hydrazinylidene]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N/N=C(/C#N)\C(=O)OC)C

DOS

IR

Vibrations