Geometry & MOs

Info

ID:	413145
PubChem CID:	135086089
Reduced:	O2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	272.0007
ΔH_f, kcal/mol:	-78.22
Dipole, Da:	1.84
IP(EA), eV:	-9.04(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(=O)/C=C(\C)/C1=CC=CC=C1OC

DOS

IR

Vibrations