Geometry & MOs

Info

ID:	18123
PubChem CID:	538396
Reduced:	O2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-187.5
Dipole, Da:	3.28
IP(EA), eV:	-10.37(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetyloxy-2-methylhex-3-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations