Geometry & MOs

Info

ID:	431135
PubChem CID:	135171205
Reduced:	O2N4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	440.221226
ΔH_f, kcal/mol:	18.12
Dipole, Da:	3.69
IP(EA), eV:	-8.45(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=C(C3=CC=CC=C3O2)C#N)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations