Geometry & MOs

Info

ID:	431084
PubChem CID:	135171154
Reduced:	ClN2C7H9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	329.18025
ΔH_f, kcal/mol:	32.8
Dipole, Da:	2.56
IP(EA), eV:	-8.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3,3-difluoro-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C/C=C/1\C(=C/Cl)\NC(=N1)C

DOS

IR

Vibrations