Geometry & MOs

Info

ID:	413591
PubChem CID:	135086540
Reduced:	O6C19H26 (1)
Stoich.:	A6B19C26 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-261.0
Dipole, Da:	3.67
IP(EA), eV:	-9.45(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-7-(4-methoxyphenyl)-7-oxohept-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC(=O)CC1(OCCO1)COCC2=CC=CC=C2

DOS

IR

Vibrations