Geometry & MOs

Info

ID:	337288
PubChem CID:	127256970
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	327.1646
ΔH_f, kcal/mol:	-90.46
Dipole, Da:	3.29
IP(EA), eV:	-9.01(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,2-difluoroethyl)-4-oxocyclohexa-1,5-dien-1-yl]propan-2-yl piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)OC(=O)C2CCCNC2

DOS

IR

Vibrations