Geometry & MOs

Info

ID:	207048
PubChem CID:	80338786
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	196.10342
ΔH_f, kcal/mol:	-79.74
Dipole, Da:	3.68
IP(EA), eV:	-8.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-propan-2-ylsulfanylpyridin-4-yl)ethanamine

Drug info:

PubChemData

Smile

CCCNC(C)C1=CC(=NC=C1)SCCC(=O)OC

DOS

IR

Vibrations