Geometry & MOs

Info

ID:	430898
PubChem CID:	135170966
Reduced:	N2O4C9H14 (1)
Stoich.:	A2B4C9D14 (1)
Weight, g/mol:	447.193375
ΔH_f, kcal/mol:	-160.87
Dipole, Da:	7.05
IP(EA), eV:	-9.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(C1=NC(=CC(=O)N1)O)OCC

DOS

IR

Vibrations