Geometry & MOs

Info

ID:	18055
PubChem CID:	535600
Reduced:	O4N5C13H13 (1)
Stoich.:	A4B5C13D13 (1)
Weight, g/mol:	303.096754
ΔH_f, kcal/mol:	6.75
Dipole, Da:	7.66
IP(EA), eV:	-9.37(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetyliminocyclohexa-2,5-dien-1-ylidene)-4-(dihydroxyamino)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N=C1C=CC(=NC(=O)C2=NN(C=C2N(O)O)C)C=C1

DOS

IR

Vibrations