Geometry & MOs

Info

ID:	332642
PubChem CID:	127250928
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-37.43
Dipole, Da:	7.72
IP(EA), eV:	-9.17(-1.52)
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-methyl-2-(3-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)CN4CCCCCC4=O

DOS

IR

Vibrations