Geometry & MOs

Info

ID:	430734
PubChem CID:	135170801
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	437.229012
ΔH_f, kcal/mol:	25.6
Dipole, Da:	5.48
IP(EA), eV:	-8.59(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NC/C(=C/N)/C=NC)C(=O)C2=CC3=C(N2)C=CC=N3

DOS

IR

Vibrations