Geometry & MOs

Info

ID:	298961
PubChem CID:	117664457
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	428.221226
ΔH_f, kcal/mol:	7.46
Dipole, Da:	3.49
IP(EA), eV:	-8.36(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxy-3,5-dimethylphenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole

Drug info:

PubChemData

Smile

CN(C1C[C@@H]2CN(C[C@@H]2C1)CCOC)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations