Geometry & MOs

Info

ID:	245969
PubChem CID:	103032182
Reduced:	NOF3C15H28 (1)
Stoich.:	ABC3D15E28 (1)
Weight, g/mol:	291.165686
ΔH_f, kcal/mol:	-253.35
Dipole, Da:	6.16
IP(EA), eV:	-8.91(1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzothiophen-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

Drug info:

PubChemData

Smile

CC(C)(CCC(C1CCC(CC1)C(F)(F)F)NC)OC

DOS

IR

Vibrations