Geometry & MOs

Info

ID:	276111
PubChem CID:	103820653
Reduced:	N3O3C11H19 (1)
Stoich.:	A3B3C11D19 (1)
Weight, g/mol:	244.124549
ΔH_f, kcal/mol:	-135.62
Dipole, Da:	1.81
IP(EA), eV:	-9.36(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethylsulfanyl)-N-[2-(2-hydroxyethyl)pentyl]acetamide

Drug info:

PubChemData

Smile

CCCC(CCO)CNC(=O)C1=CNC(=O)N1

DOS

IR

Vibrations