Geometry & MOs

Info

ID:	244509
PubChem CID:	99356041
Reduced:	O4N5C19H25 (1)
Stoich.:	A4B5C19D25 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	-166.02
Dipole, Da:	10.0
IP(EA), eV:	-9.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-(pyridin-4-ylamino)propyl]-1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=O)N(C(=O)N2)CCC(=O)NCCC(=O)NC3=CC=NC=C3

DOS

IR

Vibrations