Geometry & MOs

Info

ID:	124567
PubChem CID:	50887689
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	316.121178
ΔH_f, kcal/mol:	-22.02
Dipole, Da:	4.33
IP(EA), eV:	-10.15(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(2-methylphenyl)-3-phenylpyrano[2,3-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CC/C(=C/C1=CC=C(C=C1)C(=O)N)/[N+](=O)[O-]

DOS

IR

Vibrations