Geometry & MOs

Info

ID:	143451
PubChem CID:	53210875
Reduced:	ClOF2N3H14C19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	373.079346
ΔH_f, kcal/mol:	-33.14
Dipole, Da:	4.91
IP(EA), eV:	-9.2(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-methylphenyl)-4-(2,5-difluorophenyl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C3=NC(=O)CC(C3=CN2)C4=C(C(=CC=C4)F)F

DOS

IR

Vibrations