Geometry & MOs

Info

ID:	430711
PubChem CID:	135170778
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-136.28
Dipole, Da:	1.94
IP(EA), eV:	-8.73(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-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)NC(=O)OC(C)(C)C)C(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations