Geometry & MOs

Info

ID:	193797
PubChem CID:	78439769
Reduced:	NO3C16H26 (1)
Stoich.:	AB3C16D26 (1)
Weight, g/mol:	312.098431
ΔH_f, kcal/mol:	-107.93
Dipole, Da:	5.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754772
Charge, e:	-1

Chem-info

IUPAC name:

2-methyl-4-nitro-6-[[(2-phenylacetyl)hydrazinylidene]methyl]phenolate

Drug info:

PubChemData

Smile

CC(C)(CO)[NH2+]CC(COC1=CC2=C(CCC2)C=C1)O

DOS

IR

Vibrations