Geometry & MOs

Info

ID:	343575
PubChem CID:	127266748
Reduced:	ClON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	335.151288
ΔH_f, kcal/mol:	5.67
Dipole, Da:	4.43
IP(EA), eV:	-9.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-1,3,5-trimethylpyrazolo[3,4-b]pyridin-6-yl)amino]-N-methylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=CC(=O)NN=C2Cl)C3=CC=CC=C3

DOS

IR

Vibrations