Geometry & MOs

Info

ID:	386055
PubChem CID:	134980650
Reduced:	BrOC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-17.39
Dipole, Da:	2.59
IP(EA), eV:	-10.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylidenehept-6-enyl acetate

Drug info:

PubChemData

Smile

CC(=O)[C@]1(C[C@@H]2C[C@H]1C=C2)Br

DOS

IR

Vibrations