Geometry & MOs

Info

ID:	332638
PubChem CID:	127250924
Reduced:	O3N6H22C23 (1)
Stoich.:	A3B6C22D23 (1)
Weight, g/mol:	444.190989
ΔH_f, kcal/mol:	14.34
Dipole, Da:	10.4
IP(EA), eV:	-8.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-methylquinolin-4-yl)oxyethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)N3CCC(C3)C4=NC=NC=C4C5=NOC(=N5)C)C

DOS

IR

Vibrations