Geometry & MOs

Info

ID:	431035
PubChem CID:	135171105
Reduced:	O2F3N3C23H24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	326.124212
ΔH_f, kcal/mol:	-174.65
Dipole, Da:	4.93
IP(EA), eV:	-8.91(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](COC[C@@H]1N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2)NCC4=CC=CC=C4

DOS

IR

Vibrations