Geometry & MOs

Info

ID:	260155
PubChem CID:	103183357
Reduced:	S2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	212.098334
ΔH_f, kcal/mol:	44.71
Dipole, Da:	4.76
IP(EA), eV:	-8.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3,5-dimethylpyridin-2-yl)methylsulfanyl]ethanol

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)CSC2=NC(=CS2)C

DOS

IR

Vibrations