Geometry & MOs

Info

ID:	225600
PubChem CID:	85856300
Reduced:	SN2O4C9H12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	213.09652
ΔH_f, kcal/mol:	-136.09
Dipole, Da:	8.43
IP(EA), eV:	-10.67(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-difluorophenyl)-3-(dimethylamino)propan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NC(=NC=C1)S(=O)(=O)C

DOS

IR

Vibrations