Geometry & MOs

Info

ID:	413841
PubChem CID:	135086791
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	268.050237
ΔH_f, kcal/mol:	-130.36
Dipole, Da:	3.02
IP(EA), eV:	-9.26(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-4-chloro-5-(4-methoxyphenyl)-3-oxopent-4-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCCCC(C1=O)C2=CC=CC=C2

DOS

IR

Vibrations