Geometry & MOs

Info

ID:	133394
PubChem CID:	51520326
Reduced:	FN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	331.145796
ΔH_f, kcal/mol:	-138.63
Dipole, Da:	3.19
IP(EA), eV:	-9.29(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1R,6R)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)[C@H]3CC=CC[C@@H]3C(=O)O

DOS

IR

Vibrations