Geometry & MOs

Info

ID:	390439
PubChem CID:	134999157
Reduced:	CrO5C17H18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	-20.06
Dipole, Da:	3.59
IP(EA), eV:	-7.1(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[benzyl(hydroxy)amino]-1-(2-methylphenyl)butan-2-ol

Drug info:

PubChemData

Smile

CCCCC1=CC2=C(CO1)C=CC=C2CO.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations