Geometry & MOs

Info

ID:	430727
PubChem CID:	135170794
Reduced:	FON3C24H26 (1)
Stoich.:	ABC3D24E26 (1)
Weight, g/mol:	389.246713
ΔH_f, kcal/mol:	-27.22
Dipole, Da:	2.3
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(benzylamino)cyclohexyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=CC(=CC=C2)F)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations