Geometry & MOs

Info

ID:	398501
PubChem CID:	135033522
Reduced:	BrN2O3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	291.085521
ΔH_f, kcal/mol:	-102.26
Dipole, Da:	1.12
IP(EA), eV:	-9.73(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[(3-nitrophenyl)methyl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=O)N(C1=O)C)CC2=CC=CC=C2Br

DOS

IR

Vibrations