Geometry & MOs

Info

ID:	442578
PubChem CID:	135253133
Reduced:	OCl2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	419.151288
ΔH_f, kcal/mol:	-4.64
Dipole, Da:	9.76
IP(EA), eV:	-8.74(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[(4,6-dimethylpyridin-2-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C2=NC=C(C(=C12)Cl)C(=O)NC3=CC=C(C=C3)Cl)CCCN4CCCC4

DOS

IR

Vibrations