Geometry & MOs

Info

ID:	390034
PubChem CID:	134996726
Reduced:	TiO4C23H34 (1)
Stoich.:	AB4C23D34 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	-114.44
Dipole, Da:	24.11
IP(EA), eV:	-6.79(-4.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanimine oxide

Drug info:

PubChemData

Smile

CC1=C([C](C(=C1C)C)C)C.CC1=C([C](C(=C1C)C)C)C.C(C(=O)O)C(=O)O.[Ti]

DOS

IR

Vibrations