Geometry & MOs

Info

ID:	430902
PubChem CID:	135170970
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	459.213362
ΔH_f, kcal/mol:	14.54
Dipole, Da:	3.87
IP(EA), eV:	-8.48(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC(=CC=C2)N)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations