Geometry & MOs

Info

ID:	84391
PubChem CID:	49866187
Reduced:	OF2N3H11C17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	315.061946
ΔH_f, kcal/mol:	-12.24
Dipole, Da:	2.11
IP(EA), eV:	-8.92(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-difluorophenyl)pyrazol-4-yl]-5-fluoro-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(O2)C3=CN(N=C3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations