Geometry & MOs

Info

ID:	342073
PubChem CID:	127264786
Reduced:	FON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	306.137971
ΔH_f, kcal/mol:	-60.52
Dipole, Da:	2.39
IP(EA), eV:	-8.89(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[3-(4-fluorophenyl)prop-2-enyl]-3-oxopiperazin-2-yl]acetate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)CC=CC2=CC=C(C=C2)F

DOS

IR

Vibrations