Geometry & MOs

Info

ID:	226645
PubChem CID:	87550956
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	256.094688
ΔH_f, kcal/mol:	-129.9
Dipole, Da:	4.16
IP(EA), eV:	-8.2(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxycarbonyl-2-methylhexa-2,5-dienoic acid;prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(CC=O)/C=C/C1=CC(=C(C=C1)OC)OCCCOC

DOS

IR

Vibrations