Geometry & MOs

Info

ID:	284953
PubChem CID:	104085445
Reduced:	OSN2C9H14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	225.118735
ΔH_f, kcal/mol:	-34.86
Dipole, Da:	3.61
IP(EA), eV:	-8.35(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-1-(3-methylphenyl)ethyl]sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)SC(C)CO)N

DOS

IR

Vibrations