Geometry & MOs

Info

ID:	431169
PubChem CID:	135171239
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	431.182062
ΔH_f, kcal/mol:	6.89
Dipole, Da:	4.65
IP(EA), eV:	-9.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-5-(benzylamino)oxan-3-yl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=NOC(=C2)C)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations