Geometry & MOs

Info

ID:	430993
PubChem CID:	135171063
Reduced:	O2F3N3C25H28 (1)
Stoich.:	A2B3C3D25E28 (1)
Weight, g/mol:	459.213362
ΔH_f, kcal/mol:	-197.53
Dipole, Da:	6.68
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[3-[[4-(trifluoromethoxy)phenyl]methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations