Geometry & MOs

Info

ID:	339411
PubChem CID:	127261307
Reduced:	INOPH25C27 (1)
Stoich.:	ABCDE25F27 (1)
Weight, g/mol:	236.120115
ΔH_f, kcal/mol:	35.6
Dipole, Da:	3.9
IP(EA), eV:	-8.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)N(C)P(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)I

DOS

IR

Vibrations