Geometry & MOs

Info

ID:	271870
PubChem CID:	103694962
Reduced:	ON2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	214.080536
ΔH_f, kcal/mol:	-7.02
Dipole, Da:	5.59
IP(EA), eV:	-8.66(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2,3-difluoro-4-methylphenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CC[C@H](C2)O)C#N

DOS

IR

Vibrations