Geometry & MOs

Info

ID:	293904
PubChem CID:	117414363
Reduced:	BrFNO2C9H11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	264.060943
ΔH_f, kcal/mol:	-78.32
Dipole, Da:	2.58
IP(EA), eV:	-9.12(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Br)OC)F)CON

DOS

IR

Vibrations