Geometry & MOs

Info

ID:	298964
PubChem CID:	117664498
Reduced:	NO5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	483.22704
ΔH_f, kcal/mol:	-140.48
Dipole, Da:	3.42
IP(EA), eV:	-9.16(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indol-5-yl]-4-propan-2-yloxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)/C=C/C2=C(C(=CC(=C2)OC)OC)C(=O)OC

DOS

IR

Vibrations