Geometry & MOs

Info

ID:	430755
PubChem CID:	135170822
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	57.7
Dipole, Da:	4.64
IP(EA), eV:	-8.68(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-cyclopropyl-1,2-oxazol-4-yl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)NCC2=CON=C2C3CC3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations