Geometry & MOs

Info

ID:	172717
PubChem CID:	75543870
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-114.19
Dipole, Da:	5.71
IP(EA), eV:	-9.36(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC(=O)CN2C(=O)CCN(C2=O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations