Geometry & MOs

Info

ID:	430952
PubChem CID:	135171022
Reduced:	ON4C25H32 (1)
Stoich.:	AB4C25D32 (1)
Weight, g/mol:	393.221641
ΔH_f, kcal/mol:	-5.18
Dipole, Da:	5.71
IP(EA), eV:	-8.22(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=C(C=C2)N)C)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations