Geometry & MOs

Info

ID:	122620
PubChem CID:	50815119
Reduced:	BrClFOSN4H13C20 (1)
Stoich.:	ABCDEF4G13H20 (1)
Weight, g/mol:	377.104338
ΔH_f, kcal/mol:	38.99
Dipole, Da:	8.52
IP(EA), eV:	-8.97(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-benzimidazol-2-yl)-4-(2-chlorophenyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=C2C(CC(=O)N=C2N(N1)C3=NC4=C(S3)C=C(C=C4)Br)C5=C(C=CC=C5Cl)F

DOS

IR

Vibrations