Geometry & MOs

Info

ID:	430823
PubChem CID:	135170890
Reduced:	ON4C23H26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	430.198046
ΔH_f, kcal/mol:	33.74
Dipole, Da:	0.93
IP(EA), eV:	-8.64(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-(pyridin-4-ylmethylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations