Geometry & MOs

Info

ID:	386534
PubChem CID:	134982064
Reduced:	ClPO2H18C23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	232.125201
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	2.8
IP(EA), eV:	-9.1(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(E)-2-phenylethenyl]-1H-indene

Drug info:

PubChemData

Smile

COP(=O)(C1=CC=CC=C1)/C/2=C/C3=CC=CC=C3C4=CC=CC=C4/C=C2/Cl

DOS

IR

Vibrations