Geometry & MOs

Info

ID:	183315
PubChem CID:	77006034
Reduced:	BrClN2O3H10C12 (1)
Stoich.:	ABC2D3E10F12 (1)
Weight, g/mol:	356.00078
ΔH_f, kcal/mol:	-97.0
Dipole, Da:	4.55
IP(EA), eV:	-10.12(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-2,4-dioxo-1,3-diazinan-1-yl)methyl]-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1CC(=O)C2=CC=CC=C2Cl)Br

DOS

IR

Vibrations