Geometry & MOs

Info

ID:	282233
PubChem CID:	103919472
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	309.17625
ΔH_f, kcal/mol:	-44.48
Dipole, Da:	4.46
IP(EA), eV:	-9.11(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-(6-hydroxyhexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NCCCCCCO

DOS

IR

Vibrations