Geometry & MOs

Info

ID:	431051
PubChem CID:	135171121
Reduced:	NC4H7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	465.216475
ΔH_f, kcal/mol:	19.87
Dipole, Da:	5.38
IP(EA), eV:	-9.64(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CNC1(C)C#N)C

DOS

IR

Vibrations