Geometry & MOs

Info

ID:	431132
PubChem CID:	135171202
Reduced:	O3N4C28H30 (1)
Stoich.:	A3B4C28D30 (1)
Weight, g/mol:	431.203134
ΔH_f, kcal/mol:	-20.36
Dipole, Da:	7.6
IP(EA), eV:	-8.34(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(1-benzothiophen-2-ylmethylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=C(C3=CC=CC=C3O2)C#N)C(=O)C4=CC5=C(N4)C=CC=C5OC

DOS

IR

Vibrations