Geometry & MOs

Info

ID:	430826
PubChem CID:	135170893
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	430.198046
ΔH_f, kcal/mol:	-37.28
Dipole, Da:	3.2
IP(EA), eV:	-8.76(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCCC(C1)NC(=O)C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations