Geometry & MOs

Info

ID:	430852
PubChem CID:	135170919
Reduced:	ON3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	22.01
Dipole, Da:	2.42
IP(EA), eV:	-8.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-(1,3-benzoxazol-5-ylmethylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCC=C(C1)NCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations