Geometry & MOs

Info

ID:	122941
PubChem CID:	50827972
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	-37.68
Dipole, Da:	6.76
IP(EA), eV:	-8.16(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=C(C=C2)C3=NOC(=N3)C(=O)NCCCN4CCOCC4

DOS

IR

Vibrations