Geometry & MOs

Info

ID:	260157
PubChem CID:	103183397
Reduced:	ClNO2C17H28 (1)
Stoich.:	ABC2D17E28 (1)
Weight, g/mol:	240.129634
ΔH_f, kcal/mol:	-96.93
Dipole, Da:	1.89
IP(EA), eV:	-8.77(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-3,5-dimethylpyridin-2-yl)methylsulfanyl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CCNCC(CCOCCCOC)CC1=CC=CC=C1Cl

DOS

IR

Vibrations