Geometry & MOs

Info

ID:	339429
PubChem CID:	127261325
Reduced:	ON2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	270.081143
ΔH_f, kcal/mol:	41.92
Dipole, Da:	3.47
IP(EA), eV:	-9.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-2-[4-(chloromethyl)phenyl]ethenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)/C=C/C2=NC=CN=C2

DOS

IR

Vibrations