Geometry & MOs

Info

ID:	430865
PubChem CID:	135170932
Reduced:	OF3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	393.221641
ΔH_f, kcal/mol:	-141.42
Dipole, Da:	0.77
IP(EA), eV:	-8.93(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](CC(C1)NCC2=CN=CC=C2)N(CC(F)(F)F)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations