Geometry & MOs

Info

ID:	290529
PubChem CID:	104643475
Reduced:	OSN2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	199.077933
ΔH_f, kcal/mol:	-40.67
Dipole, Da:	3.79
IP(EA), eV:	-8.34(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(3-aminopyridin-4-yl)sulfanylpropan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations