Geometry & MOs

Info

ID:	193798
PubChem CID:	78439952
Reduced:	N3O4H14C16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	277.082447
ΔH_f, kcal/mol:	6.0
Dipole, Da:	7.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.246819
Charge, e:	-1

Chem-info

IUPAC name:

4-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1[O-])C=NNC(=O)CC2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations