Geometry & MOs

Info

ID:	28530
PubChem CID:	828146
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	289.081104
ΔH_f, kcal/mol:	-34.15
Dipole, Da:	2.8
IP(EA), eV:	-9.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dihydroxyamino)-1-methyl-N-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylimino]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=NO)C)NC(=O)C1=CC=CC=C1

DOS

IR

Vibrations