Geometry & MOs

Info

ID:	430919
PubChem CID:	135170989
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	13.05
Dipole, Da:	4.55
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC=C(C1)NCC2=CC(=NO2)C)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations