Geometry & MOs

Info

ID:	131453
PubChem CID:	51208537
Reduced:	N3O3C21H23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	349.142641
ΔH_f, kcal/mol:	-33.64
Dipole, Da:	3.14
IP(EA), eV:	-9.24(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)COC2=CC=C(C=C2)C3=NOC(=N3)C

DOS

IR

Vibrations