Geometry & MOs

Info

ID:	332667
PubChem CID:	127250953
Reduced:	ON2C6H8 (3)
Stoich.:	AB2C6D8 (3)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	-22.15
Dipole, Da:	7.74
IP(EA), eV:	-8.72(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)CC(=O)N4CCCC4

DOS

IR

Vibrations