Geometry & MOs

Info

ID:	141080
PubChem CID:	52814540
Reduced:	BrON5C23H27 (1)
Stoich.:	ABC5D23E27 (1)
Weight, g/mol:	429.18009
ΔH_f, kcal/mol:	92.42
Dipole, Da:	3.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.967167
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-N-[[3-(furan-2-carbonylamino)phenyl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CC1=CC(=CC=C1)NC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Br)C4CC4

DOS

IR

Vibrations