Geometry & MOs

Info

ID:	430787
PubChem CID:	135170854
Reduced:	F3N4O4C29H35 (1)
Stoich.:	A3B4C4D29E35 (1)
Weight, g/mol:	459.213362
ΔH_f, kcal/mol:	-304.76
Dipole, Da:	3.87
IP(EA), eV:	-9.38(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)C3=NC4=C(N3)C=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations