Geometry & MOs

Info

ID:	372119
PubChem CID:	131293399
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	248.041564
ΔH_f, kcal/mol:	-68.59
Dipole, Da:	3.91
IP(EA), eV:	-8.16(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-1-[4-(difluoromethyl)-3-methoxyphenyl]propan-2-one

Drug info:

PubChemData

Smile

CN(C)C1=C(C2=C(S1)CCNC2)C(=O)OC

DOS

IR

Vibrations