Geometry & MOs

Info

ID:	202595
PubChem CID:	79696512
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	272.061949
ΔH_f, kcal/mol:	-35.16
Dipole, Da:	3.31
IP(EA), eV:	-9.57(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxyprop-1-ynyl)-N-(2-methylpyridin-3-yl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCNC(=O)C1=CSC(=C1)C#CCO

DOS

IR

Vibrations