Geometry & MOs

Info

ID:	307156
PubChem CID:	125275509
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	289.081104
ΔH_f, kcal/mol:	3.72
Dipole, Da:	7.3
IP(EA), eV:	-9.17(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N'-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-4H-pyrazole-3-carbohydrazide

Drug info:

PubChemData

Smile

CCN1[C@@H](C2=C(C1=O)N=N[C@@H]2C3=CC=CC=C3O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations