Geometry & MOs

Info

ID:	172832
PubChem CID:	75558974
Reduced:	BrN3O3H14C17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-61.91
Dipole, Da:	10.02
IP(EA), eV:	-9.22(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,5-dimethylpyrrol-2-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations