Geometry & MOs

Info

ID:	221514
PubChem CID:	85273803
Reduced:	N2O4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	312.111007
ΔH_f, kcal/mol:	0.97
Dipole, Da:	5.31
IP(EA), eV:	-9.22(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-methyl-2-(2-phenylacetyl)hydrazinyl]methylidene]-6-oxocyclohexa-1,3-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1CC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=CC=C3

DOS

IR

Vibrations