Geometry & MOs

Info

ID:	187512
PubChem CID:	77583040
Reduced:	ClO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	317.116427
ΔH_f, kcal/mol:	-37.48
Dipole, Da:	0.88
IP(EA), eV:	-9.16(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-dimethyl-4-naphthalen-1-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(C2CC(N(C(=O)N2N1)CC3=CC=CC=C3)C(=O)C4CC4)Cl

DOS

IR

Vibrations