Geometry & MOs

Info

ID:	133393
PubChem CID:	51519685
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	332.153621
ΔH_f, kcal/mol:	-164.47
Dipole, Da:	8.23
IP(EA), eV:	-8.77(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CNC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations