Geometry & MOs

Info

ID:	132449
PubChem CID:	51362971
Reduced:	NF3O4H14C18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-257.67
Dipole, Da:	3.0
IP(EA), eV:	-8.89(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)CC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations