Geometry & MOs

Info

ID:	122513
PubChem CID:	50810136
Reduced:	O2N3C24H25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	393.124405
ΔH_f, kcal/mol:	-0.7
Dipole, Da:	5.62
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chlorobenzoyl)-1-(3-ethylphenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C3=NC(=O)CC(C3=C(N2)C)C(=O)C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations