Geometry & MOs

Info

ID:	431134
PubChem CID:	135171204
Reduced:	OSN3C26H29 (1)
Stoich.:	ABC3D26E29 (1)
Weight, g/mol:	440.221226
ΔH_f, kcal/mol:	19.9
Dipole, Da:	3.76
IP(EA), eV:	-8.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-[(3-cyano-1-benzofuran-2-yl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC3=CC=CC=C3S2)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations