Geometry & MOs

Info

ID:	172831
PubChem CID:	75558973
Reduced:	BrN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	387.02185
ΔH_f, kcal/mol:	-71.19
Dipole, Da:	9.79
IP(EA), eV:	-9.21(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations