Geometry & MOs

Info

ID:	122917
PubChem CID:	50826587
Reduced:	FON4H17C20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	516.204052
ΔH_f, kcal/mol:	20.99
Dipole, Da:	4.15
IP(EA), eV:	-9.01(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methylamino]-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC(=CC=C2)NC3=NC=C(C=N3)C4=CC(=CC=C4)F

DOS

IR

Vibrations