Geometry & MOs

Info

ID:	392107
PubChem CID:	135013008
Reduced:	OC20H20 (1)
Stoich.:	AB20C20 (1)
Weight, g/mol:	449.940517
ΔH_f, kcal/mol:	-16.38
Dipole, Da:	3.07
IP(EA), eV:	-9.04(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(2,2-diphenylethenyl)-3,6-dihydro-2H-pyran;trichlorotitanium(1+)

Drug info:

PubChemData

Smile

C1CCC(=O)C2=C3CCCC3=C(C=C2C1)C4=CC=CC=C4

DOS

IR

Vibrations