Geometry & MOs

Info

ID:	286597
PubChem CID:	104179390
Reduced:	N3O3C16H27 (1)
Stoich.:	A3B3C16D27 (1)
Weight, g/mol:	282.11907
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	2.99
IP(EA), eV:	-9.21(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzothiophen-2-yl)-N-[(3-methylpyridin-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCN(CCCNCC1=NC=C(C=C1)O)C(=O)OC(C)(C)C

DOS

IR

Vibrations