Geometry & MOs

Info

ID:	332640
PubChem CID:	127250926
Reduced:	O3N6C20H24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	402.180424
ΔH_f, kcal/mol:	10.84
Dipole, Da:	7.03
IP(EA), eV:	-9.55(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-1-[3-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)C4=C(ON=C4C(C)C)C

DOS

IR

Vibrations