Geometry & MOs

Info

ID:	20151
PubChem CID:	580377
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-195.61
Dipole, Da:	5.21
IP(EA), eV:	-9.99(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetyloxy-4-methylhept-4-enoic acid

Drug info:

PubChemData

Smile

CC(C=C(C)CCC(=O)O)OC(=O)C

DOS

IR

Vibrations