Geometry & MOs

Info

ID:	430817
PubChem CID:	135170884
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	430.198046
ΔH_f, kcal/mol:	-31.19
Dipole, Da:	6.45
IP(EA), eV:	-9.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=CC=C2)F)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations