Geometry & MOs

Info

ID:	124572
PubChem CID:	50887802
Reduced:	N3O6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	-69.1
Dipole, Da:	6.81
IP(EA), eV:	-9.23(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-(2-nitropropan-2-yldiazenyl)-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(O1)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)/C#N

DOS

IR

Vibrations