Geometry & MOs

Info

ID:	53093
PubChem CID:	14709549
Reduced:	O5C14H16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	260.162374
ΔH_f, kcal/mol:	-178.87
Dipole, Da:	1.89
IP(EA), eV:	-9.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1,1-diethoxypropoxy)-2-methylidenebutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations