Geometry & MOs

Info

ID:	11187
PubChem CID:	111609
Reduced:	OC4H7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	142.09938
ΔH_f, kcal/mol:	-97.29
Dipole, Da:	2.19
IP(EA), eV:	-10.56(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methylhex-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations