Geometry & MOs

Info

ID:	310929
PubChem CID:	126588519
Reduced:	FO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	412.04856
ΔH_f, kcal/mol:	-246.35
Dipole, Da:	5.73
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-bromo-2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]phenyl]acetate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2OC)CC(=O)OC)C(F)F

DOS

IR

Vibrations