Geometry & MOs

Info

ID:	414046
PubChem CID:	135086999
Reduced:	PO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-191.47
Dipole, Da:	1.45
IP(EA), eV:	-8.98(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OP(=O)(C(C)(C)C)OC2=CC(=CC(=C2)C)C)C

DOS

IR

Vibrations