Geometry & MOs

Info

ID:	431158
PubChem CID:	135171228
Reduced:	PSO2N5C21H24 (1)
Stoich.:	ABC2D5E21F24 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-35.58
Dipole, Da:	5.75
IP(EA), eV:	-8.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S)-3-(oxan-4-ylmethylamino)cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C)C)C2=CC3=C(C=C2)N/C(=C/4\C(=O)C5=C(C=CS5)N(C4=O)P)/N3

DOS

IR

Vibrations