Geometry & MOs

Info

ID:	430842
PubChem CID:	135170909
Reduced:	NOC4H5 (2)
Stoich.:	ABC4D5 (2)
Weight, g/mol:	447.193375
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	5.39
IP(EA), eV:	-9.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-fluorophenyl)methylamino]cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C1=C(NC(=N1)C(=O)O)C

DOS

IR

Vibrations