Geometry & MOs

Info

ID:	347948
PubChem CID:	127273010
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	358.24811
ΔH_f, kcal/mol:	-108.51
Dipole, Da:	6.12
IP(EA), eV:	-8.31(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)propyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CN1C(=O)C2=CC=CC=C2NC1=O)N3CCN(CC3)C

DOS

IR

Vibrations