Geometry & MOs

Info

ID:	286622
PubChem CID:	104179520
Reduced:	SN3C12H27 (1)
Stoich.:	AB3C12D27 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-12.14
Dipole, Da:	2.57
IP(EA), eV:	-8.47(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCSCCCNCC1CN(CCN1C)C

DOS

IR

Vibrations