Geometry & MOs

Info

ID:	282285
PubChem CID:	103921295
Reduced:	OSN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	295.196986
ΔH_f, kcal/mol:	-7.33
Dipole, Da:	4.73
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4-methyl-4-phenylpentan-2-yl)amino]ethylsulfanyl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C#N)NCCSCCCO

DOS

IR

Vibrations