Geometry & MOs

Info

ID:	430949
PubChem CID:	135171019
Reduced:	OF3N3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	404.257612
ΔH_f, kcal/mol:	-151.39
Dipole, Da:	1.91
IP(EA), eV:	-8.91(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-[(4-amino-3-methylphenyl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations