Geometry & MOs

Info

ID:	431052
PubChem CID:	135171122
Reduced:	O2N5H27C28 (1)
Stoich.:	A2B5C27D28 (1)
Weight, g/mol:	418.21689
ΔH_f, kcal/mol:	52.11
Dipole, Da:	9.26
IP(EA), eV:	-9.2(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations