Geometry & MOs

Info

ID:	124459
PubChem CID:	50884686
Reduced:	NOH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	368.00078
ΔH_f, kcal/mol:	90.04
Dipole, Da:	7.0
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC#C)C=C(C#N)C#N

DOS

IR

Vibrations