Geometry & MOs

Info

ID:	292819
PubChem CID:	117359386
Reduced:	NF2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	243.107085
ΔH_f, kcal/mol:	-154.56
Dipole, Da:	1.92
IP(EA), eV:	-9.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

COCC1=C(C=C(C=C1F)C2CNCCO2)F

DOS

IR

Vibrations