Geometry & MOs

Info

ID:	283004
PubChem CID:	103952623
Reduced:	OSN4C9H16 (1)
Stoich.:	ABC4D9E16 (1)
Weight, g/mol:	289.150036
ΔH_f, kcal/mol:	-17.92
Dipole, Da:	1.22
IP(EA), eV:	-8.82(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-3-[(4-phenylthiophen-2-yl)methylamino]butan-2-ol

Drug info:

PubChemData

Smile

C1=CN=C(N=C1N)NCCSCCCO

DOS

IR

Vibrations