Geometry & MOs

Info

ID:	48369
PubChem CID:	10541045
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	286.178024
ΔH_f, kcal/mol:	-78.13
Dipole, Da:	2.59
IP(EA), eV:	-8.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-6-(1-ethoxy-1-oxopropan-2-yl)oxy-4,4-dimethylhex-2-enoate

Drug info:

PubChemData

Smile

CCCCC(=O)C1=CC(=CC=C1)OC2=CC=C(C=C2)OC

DOS

IR

Vibrations