Geometry & MOs

Info

ID:	431242
PubChem CID:	135171313
Reduced:	O3N5C29H35 (1)
Stoich.:	A3B5C29D35 (1)
Weight, g/mol:	411.212219
ΔH_f, kcal/mol:	-65.67
Dipole, Da:	4.19
IP(EA), eV:	-9.22(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)C3=NC4=C(C=CC=C4N3)C#N

DOS

IR

Vibrations