Geometry & MOs

Info

ID:	397052
PubChem CID:	135029653
Reduced:	OC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-125.22
Dipole, Da:	1.97
IP(EA), eV:	-10.35(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-5-en-3-yl but-3-enoate

Drug info:

PubChemData

Smile

CC1CC[C@H]2C[C@@H](CC2(C1C)C)C(=O)OC

DOS

IR

Vibrations