Geometry & MOs

Info

ID:	431131
PubChem CID:	135171201
Reduced:	O3N4C28H30 (1)
Stoich.:	A3B4C28D30 (1)
Weight, g/mol:	470.231791
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	2.88
IP(EA), eV:	-8.26(-0.7)
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-4-methoxy-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=C(N4)C=CC=C5OC

DOS

IR

Vibrations