Geometry & MOs

Info

ID:	225537
PubChem CID:	85852804
Reduced:	FH5C6 (5)
Stoich.:	AB5C6 (5)
Weight, g/mol:	319.11469
ΔH_f, kcal/mol:	-179.16
Dipole, Da:	2.77
IP(EA), eV:	-9.39(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(5-bromohexyl)-N-prop-2-enylcarbamate

Drug info:

PubChemData

Smile

CCCC1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)CCC)F)F)F)F

DOS

IR

Vibrations