Geometry & MOs

Info

ID:	332639
PubChem CID:	127250925
Reduced:	ON2C8H8 (3)
Stoich.:	AB2C8D8 (3)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	20.85
Dipole, Da:	4.11
IP(EA), eV:	-9.09(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)COC4=CC(=NC5=CC=CC=C54)C

DOS

IR

Vibrations