Geometry & MOs

Info

ID:	332625
PubChem CID:	127250911
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	408.190989
ΔH_f, kcal/mol:	81.12
Dipole, Da:	3.94
IP(EA), eV:	-8.89(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)CCC4=CC=CC=C4

DOS

IR

Vibrations