Geometry & MOs

Info

ID:	167426
PubChem CID:	74827494
Reduced:	O2N5H15C17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	72.43
Dipole, Da:	7.51
IP(EA), eV:	-9.39(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethylphenyl)-3-methyl-1-(6-oxo-3H-pyridazin-3-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=C2C(CC(=O)N=C2N(N1)C3C=CC(=O)N=N3)C4=CC=CC=C4

DOS

IR

Vibrations