Geometry & MOs

Info

ID:	342072
PubChem CID:	127264785
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	262.148141
ΔH_f, kcal/mol:	-12.36
Dipole, Da:	4.26
IP(EA), eV:	-8.89(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(4-fluorophenyl)prop-2-enyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)N)CC2CC2C3=CC=CC=C3

DOS

IR

Vibrations