Geometry & MOs

Info

ID:	332646
PubChem CID:	127250932
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	397.130553
ΔH_f, kcal/mol:	-62.23
Dipole, Da:	7.46
IP(EA), eV:	-9.56(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-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)CC4(CCCCC4)O

DOS

IR

Vibrations