Geometry & MOs

Info

ID:	27478
PubChem CID:	821553
Reduced:	ClOH6C8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	306.021435
ΔH_f, kcal/mol:	-44.12
Dipole, Da:	4.43
IP(EA), eV:	-9.12(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-methylphenyl) (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(=O)C=CC2=CC=CC=C2Cl)Cl

DOS

IR

Vibrations