Geometry & MOs

Info

ID:	337289
PubChem CID:	127256971
Reduced:	NF2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-238.06
Dipole, Da:	4.3
IP(EA), eV:	-9.22(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-oxocyclohexa-1,5-dien-1-yl)butan-2-yl piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(CC1=CCC(=O)C(=C1)CC(F)F)OC(=O)C2CCCNC2

DOS

IR

Vibrations