Geometry & MOs

Info

ID:	332661
PubChem CID:	127250947
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	424.202302
ΔH_f, kcal/mol:	-6.66
Dipole, Da:	4.45
IP(EA), eV:	-8.51(-1.31)
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-fluorophenyl)methyl-methylamino]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)CC4CCN(CC4)CC

DOS

IR

Vibrations