Geometry & MOs

Info

ID:	284880
PubChem CID:	104080053
Reduced:	ClNS2C11H18 (1)
Stoich.:	ABC2D11E18 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	5.95
Dipole, Da:	2.9
IP(EA), eV:	-8.58(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-2-methyl-4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]pyridin-3-ol

Drug info:

PubChemData

Smile

CCSCCCNC(C)C1=CC=C(S1)Cl

DOS

IR

Vibrations