Geometry & MOs

Info

ID:	398693
PubChem CID:	135034845
Reduced:	IN3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	638.193651
ΔH_f, kcal/mol:	121.97
Dipole, Da:	6.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775180
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-diphenyl-1,3-dioxolan-4-yl]-diphenylmethanol;titanium

Drug info:

PubChemData

Smile

C[N+]1=NN(C(=C1C2=CC=CC=C2)I)CC3=CC=CC=C3

DOS

IR

Vibrations