Geometry & MOs

Info

ID:	282234
PubChem CID:	103919533
Reduced:	NSO2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-110.55
Dipole, Da:	5.81
IP(EA), eV:	-9.11(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-hydroxyhexyl)-3-(2-oxopyridin-1-yl)propanamide

Drug info:

PubChemData

Smile

CCC1CCC2=C(C1)C=C(S2)C(=O)NCCCCCCO

DOS

IR

Vibrations