Geometry & MOs

Info

ID:	365981
PubChem CID:	127319271
Reduced:	O3N5H17C19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	322.142976
ΔH_f, kcal/mol:	-13.93
Dipole, Da:	2.06
IP(EA), eV:	-9.41(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2(CCC1C3=NC(=NO3)C4=NC=CC5=CC=CC=C54)C(=O)NC(=O)N2

DOS

IR

Vibrations