Geometry & MOs

Info

ID:	431047
PubChem CID:	135171117
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	418.21689
ΔH_f, kcal/mol:	34.84
Dipole, Da:	3.53
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-N-ethyl-N-[3-[(4-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=CON=C2)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations