Geometry & MOs

Info

ID:	284965
PubChem CID:	104085869
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	225.118735
ΔH_f, kcal/mol:	-57.25
Dipole, Da:	4.33
IP(EA), eV:	-8.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[1-(methylamino)ethyl]phenyl]sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC(CO)SCC1=C(C=CC(=C1)C(=N)N)OC

DOS

IR

Vibrations