Geometry & MOs

Info

ID:	11087
PubChem CID:	110845
Reduced:	O3N5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	337.117489
ΔH_f, kcal/mol:	79.96
Dipole, Da:	4.21
IP(EA), eV:	-8.83(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C)[N+](=O)[O-]

DOS

IR

Vibrations