Geometry & MOs

Info

ID:	80724
PubChem CID:	49836403
Reduced:	ClO3N5C25H26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	489.168001
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	2.27
IP(EA), eV:	-8.18(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-5-[(1-methylpyrazol-3-yl)methyl]-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione

Drug info:

PubChemData

Smile

CN1C(=O)C=C2C(=C1CN3CCN(CC3)C4=CC(=CC=C4)OC)C(=O)N(N2)C5=CC=CC=C5Cl

DOS

IR

Vibrations