Geometry & MOs

Info

ID:	413369
PubChem CID:	135086317
Reduced:	ClFC7H12 (1)
Stoich.:	ABC7D12 (1)
Weight, g/mol:	241.167794
ΔH_f, kcal/mol:	-67.72
Dipole, Da:	1.92
IP(EA), eV:	-10.51(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-2,5-dimethyl-4-oxohex-5-en-3-yl]carbamate

Drug info:

PubChemData

Smile

C=CC(CCCCCl)F

DOS

IR

Vibrations