Geometry & MOs

Info

ID:	69365
PubChem CID:	46530858
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	429.216475
ΔH_f, kcal/mol:	-90.81
Dipole, Da:	8.58
IP(EA), eV:	-9.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(furan-2-yl)-1,3-dimethyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4N3)C

DOS

IR

Vibrations