Geometry & MOs

Info

ID:	390924
PubChem CID:	135001599
Reduced:	ClN4O7C21H21 (1)
Stoich.:	AB4C7D21E21 (1)
Weight, g/mol:	236.120115
ΔH_f, kcal/mol:	-202.62
Dipole, Da:	4.04
IP(EA), eV:	-9.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(E)-1-phenylprop-1-enyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)CNC1=C(C(N(C(=O)C1C#N)/N=C/C2=CC=C(C=C2)Cl)C(=O)OC)C(=O)OC

DOS

IR

Vibrations