Geometry & MOs

Info

ID:	430837
PubChem CID:	135170904
Reduced:	ON2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	454.236876
ΔH_f, kcal/mol:	8.42
Dipole, Da:	5.44
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=C(C3=CC=CC=C3O2)C)C(=O)C4=CC5=C(N4)C=CC(=C5)C#N

DOS

IR

Vibrations