Geometry & MOs

Info

ID:	51987
PubChem CID:	12014758
Reduced:	O6C17H32 (1)
Stoich.:	A6B17C32 (1)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	-175.01
Dipole, Da:	1.05
IP(EA), eV:	-8.95(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,4Z)-4-methylhexa-2,4-dienoate

Drug info:

PubChemData

Smile

CC(C)(C)OOC(C)(C)/C=C/C(C)(C(=O)OC)OOC(C)(C)C

DOS

IR

Vibrations