Geometry & MOs

Info

ID:	145018
PubChem CID:	53448535
Reduced:	NOC17H20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	257.036932
ΔH_f, kcal/mol:	20.82
Dipole, Da:	1.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757882
Charge, e:	-1

Chem-info

IUPAC name:

3-(2-chlorophenyl)-2-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C1C[NH+](CC2=CC=CC=C21)CC(C3=CC=CC=C3)O

DOS

IR

Vibrations