Geometry & MOs

Info

ID:	412105
PubChem CID:	135084979
Reduced:	NTiO4C27H35 (1)
Stoich.:	ABC4D27E35 (1)
Weight, g/mol:	611.3454
ΔH_f, kcal/mol:	-102.38
Dipole, Da:	7.27
IP(EA), eV:	-6.41(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[bis[(3-tert-butyl-2-hydroxyphenyl)methyl]amino]methyl]-6-tert-butylphenol;propan-2-ol;titanium

Drug info:

PubChemData

Smile

CC(C)O.C1=CC=C(C=C1)[C@H](CN(C[C@@H](C2=CC=CC=C2)O)C[C@@H](C3=CC=CC=C3)O)O.[Ti]

DOS

IR

Vibrations