Geometry & MOs

Info

ID:	332848
PubChem CID:	127251272
Reduced:	ON6C19H28 (1)
Stoich.:	AB6C19D28 (1)
Weight, g/mol:	446.27941
ΔH_f, kcal/mol:	9.21
Dipole, Da:	5.19
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3-(benzylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCC(=O)N2CCC(C2)C3=NC4=NNC(=C4C=C3)N

DOS

IR

Vibrations