Geometry & MOs

Info

ID:	431278
PubChem CID:	135171349
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	443.218447
ΔH_f, kcal/mol:	22.87
Dipole, Da:	5.67
IP(EA), eV:	-9.19(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)cyclohexyl]-N-ethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N)C(=O)C2=NC3=C(N2)C=C(C=C3)C#N

DOS

IR

Vibrations