Geometry & MOs

Info

ID:	25756
PubChem CID:	630490
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	333.17625
ΔH_f, kcal/mol:	-167.45
Dipole, Da:	2.8
IP(EA), eV:	-8.55(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-2-(octyliminomethyl)-1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

COC1CC2C3(CCN2CC4=C(C5=C(C=C43)OCO5)OC)CC1O

DOS

IR

Vibrations