Geometry & MOs

Info

ID:	288882
PubChem CID:	104327705
Reduced:	FNO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	294.137971
ΔH_f, kcal/mol:	-100.81
Dipole, Da:	2.86
IP(EA), eV:	-8.95(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(4-fluoro-2-methylbenzoyl)piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NC2=CC=CC=C2CO

DOS

IR

Vibrations