Geometry & MOs

Info

ID:	290532
PubChem CID:	104643482
Reduced:	OSN2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	199.077933
ΔH_f, kcal/mol:	-39.63
Dipole, Da:	3.63
IP(EA), eV:	-8.28(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(5-aminopyridin-2-yl)sulfanylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)SCC(CN)O

DOS

IR

Vibrations