Geometry & MOs

Info

ID:	337919
PubChem CID:	127258542
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	238.19328
ΔH_f, kcal/mol:	-76.96
Dipole, Da:	1.79
IP(EA), eV:	-8.86(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethyl-2-prop-1-en-2-ylhex-4-enyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1=C(C=C(C=C1)/C=C/C)C

DOS

IR

Vibrations