Geometry & MOs

Info

ID:	350049
PubChem CID:	127276922
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-149.82
Dipole, Da:	2.93
IP(EA), eV:	-8.37(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(8-methoxy-5-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-(oxan-4-yl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations