Geometry & MOs

Info

ID:	332641
PubChem CID:	127250927
Reduced:	ON3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	51.79
Dipole, Da:	4.76
IP(EA), eV:	-8.46(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)CCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations