Geometry & MOs

Info

ID:	411704
PubChem CID:	135084538
Reduced:	BrH13C14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	122.10955
ΔH_f, kcal/mol:	99.25
Dipole, Da:	1.13
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-methyloct-3-en-1-yne

Drug info:

PubChemData

Smile

CC(C)(C)C#CC1=CC=CC=C1C#CBr

DOS

IR

Vibrations