Geometry & MOs

Info

ID:	430879
PubChem CID:	135170946
Reduced:	FON5C24H26 (1)
Stoich.:	ABC5D24E26 (1)
Weight, g/mol:	418.21689
ΔH_f, kcal/mol:	-0.67
Dipole, Da:	7.15
IP(EA), eV:	-9.16(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)C#N)C(=O)C3=NC4=C(N3)C=C(C=C4)F

DOS

IR

Vibrations