Geometry & MOs

Info

ID:	89423
PubChem CID:	49961619
Reduced:	NC3H3 (4)
Stoich.:	AB3C3 (4)
Weight, g/mol:	248.054555
ΔH_f, kcal/mol:	101.6
Dipole, Da:	7.76
IP(EA), eV:	-9.38(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z)-2-cyano-2-[(3-nitrophenyl)hydrazinylidene]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NN=C(C#N)C#N)C

DOS

IR

Vibrations