Geometry & MOs

Info

ID:	298936
PubChem CID:	117664409
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	428.221226
ΔH_f, kcal/mol:	88.53
Dipole, Da:	5.83
IP(EA), eV:	-7.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(4-propan-2-yloxyphenyl)-1H-indole

Drug info:

PubChemData

Smile

CC1NC2C(C=CN2)C(N1)NC3=CC4=CN(CC4=C3)C5=CC=CC=C5C=O

DOS

IR

Vibrations