Geometry & MOs

Info

ID:	387748
PubChem CID:	134986699
Reduced:	O2C15H30 (1)
Stoich.:	A2B15C30 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-148.39
Dipole, Da:	2.52
IP(EA), eV:	-9.74(2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4E)-2-(3-methyl-2-oxobut-3-enyl)hepta-4,6-dienoate

Drug info:

PubChemData

Smile

CC1(CCC(CCOC(OCC1)(C)C)(C)C)C

DOS

IR

Vibrations