Geometry & MOs

Info

ID:	45224
PubChem CID:	10509689
Reduced:	OC4H5 (12)
Stoich.:	AB4C5 (12)
Weight, g/mol:	834.293699
ΔH_f, kcal/mol:	-422.96
Dipole, Da:	4.45
IP(EA), eV:	-9.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[[(1R)-2-hydroxy-1,2,2-triphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;titanium

Drug info:

PubChemData

Smile

CCOCCOC1=C2CC3=CC(=CC(=C3OCCOCC)CC4=C(C(=CC(=C4)CO)CC5=C(C(=CC(=C5)C=O)CC1=CC(=C2)CO)OCCOCC)OCCOCC)C=O

DOS

IR

Vibrations