Geometry & MOs

Info

ID:	184161
PubChem CID:	77120842
Reduced:	BrN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	297.9953
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	5.49
IP(EA), eV:	-9.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C3NCC(C(=O)N3)Br

DOS

IR

Vibrations