Geometry & MOs

Info

ID:	413744
PubChem CID:	135086694
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	238.039672
ΔH_f, kcal/mol:	-120.42
Dipole, Da:	3.97
IP(EA), eV:	-9.17(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-4-chloro-3-oxo-5-phenylpent-4-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CCC3(CC2=O)OCCO3

DOS

IR

Vibrations