Geometry & MOs

Info

ID:	48624
PubChem CID:	11110117
Reduced:	OCl2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	324.136159
ΔH_f, kcal/mol:	24.23
Dipole, Da:	4.16
IP(EA), eV:	-9.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[1-(4-phenylphenyl)prop-2-enyl]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2

DOS

IR

Vibrations