Geometry & MOs

Info

ID:	18364
PubChem CID:	539822
Reduced:	O3C16H26 (1)
Stoich.:	A3B16C26 (1)
Weight, g/mol:	266.188195
ΔH_f, kcal/mol:	-154.9
Dipole, Da:	4.41
IP(EA), eV:	-9.34(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyl-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC=C(C)C)(CC=C(C)C)C(=O)C

DOS

IR

Vibrations