Geometry & MOs

Info

ID:	48365
PubChem CID:	10540234
Reduced:	BrFNO2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	274.266051
ΔH_f, kcal/mol:	-75.95
Dipole, Da:	2.87
IP(EA), eV:	-9.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-4,5,6-triethyltetradeca-3,5-dien-7-yne

Drug info:

PubChemData

Smile

COCOC1=CC(=C(C=C1CC#N)Br)F

DOS

IR

Vibrations