Geometry & MOs

Info

ID:	298944
PubChem CID:	117664420
Reduced:	N3O9C43H57 (1)
Stoich.:	A3B9C43D57 (1)
Weight, g/mol:	370.179361
ΔH_f, kcal/mol:	-341.31
Dipole, Da:	6.83
IP(EA), eV:	-8.9(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN[C@@H]1[C@@H](C([C@@H]([C@@H](C1OCC2=CC=CC=C2)NCC(=O)OC(C)(C)C)OCC3=CC=CC=C3)NC4CCOC4=O)OCC5=CC=CC=C5

DOS

IR

Vibrations