Geometry & MOs

Info

ID:	229212
PubChem CID:	87567190
Reduced:	NTiCl2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	201.100108
ΔH_f, kcal/mol:	-1.17
Dipole, Da:	6.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.161872
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(hydroxyamino)-2-oxoethyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CCC(=C1C)C2=CC=CC=C2C[N-]C(C)(C)C.[Cl-].[Cl-].[Ti+3]

DOS

IR

Vibrations