Geometry & MOs

Info

ID:	442601
PubChem CID:	135253252
Reduced:	ClO2N6H25C27 (1)
Stoich.:	AB2C6D25E27 (1)
Weight, g/mol:	439.177503
ΔH_f, kcal/mol:	50.16
Dipole, Da:	7.15
IP(EA), eV:	-8.62(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN=C3C(=C2Cl)C(=NN3CC4=NC=CN4CC5=CC=C(C=C5)OC)C

DOS

IR

Vibrations