Geometry & MOs

Info

ID:	284902
PubChem CID:	104081878
Reduced:	SN2C12H28 (1)
Stoich.:	AB2C12D28 (1)
Weight, g/mol:	300.093249
ΔH_f, kcal/mol:	-30.74
Dipole, Da:	3.41
IP(EA), eV:	-8.53(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-benzothiophen-5-ylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

Drug info:

PubChemData

Smile

CCSCCCNCC(C(C)C)N(C)C

DOS

IR

Vibrations