Geometry & MOs

Info

ID:	30373
PubChem CID:	841210
Reduced:	OCl3N3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	303.096754
ΔH_f, kcal/mol:	-4.11
Dipole, Da:	6.85
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dihydroxyamino)-2,5-dimethyl-N-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylimino]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C(=O)NC2=C(C(=CC=C2)Cl)Cl)Cl

DOS

IR

Vibrations