Geometry & MOs

Info

ID:	84372
PubChem CID:	49866081
Reduced:	BrF2N2O2H9C16 (1)
Stoich.:	AB2C2D2E9F16 (1)
Weight, g/mol:	314.086684
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	1.62
IP(EA), eV:	-9.38(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-difluorophenyl)pyrazol-4-yl]-(2-hydroxy-5-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)O)F)F

DOS

IR

Vibrations