Geometry & MOs

Info

ID:	298934
PubChem CID:	117664405
Reduced:	N2O3C24H24 (1)
Stoich.:	A2B3C24D24 (1)
Weight, g/mol:	428.221226
ΔH_f, kcal/mol:	-20.63
Dipole, Da:	2.33
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-5-(4-propan-2-yloxyphenyl)-1H-indole

Drug info:

PubChemData

Smile

CC(=C)CCC1=C(C=C(C=C1OC(=O)C2=NC=CN2)/C=C/C3=CC=CC=C3)OC

DOS

IR

Vibrations