Geometry & MOs

Info

ID:	430864
PubChem CID:	135170931
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	430.198046
ΔH_f, kcal/mol:	16.21
Dipole, Da:	0.75
IP(EA), eV:	-8.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations