Geometry & MOs

Info

ID:	332632
PubChem CID:	127250918
Reduced:	SO3N6C16H24 (1)
Stoich.:	AB3C6D16E24 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	-31.27
Dipole, Da:	0.66
IP(EA), eV:	-9.51(-1.28)
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]-3-(2-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)S(=O)(=O)N(CC)CC

DOS

IR

Vibrations