Geometry & MOs

Info

ID:	430712
PubChem CID:	135170779
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	16.58
Dipole, Da:	4.48
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-cyclopropyl-1,2-oxazol-5-yl)methylamino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC(=NO2)C3CC3)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations