Geometry & MOs

Info

ID:	124473
PubChem CID:	50884857
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	410.04773
ΔH_f, kcal/mol:	1.25
Dipole, Da:	3.57
IP(EA), eV:	-8.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=CC=CC=C2)CN3CCCCC3

DOS

IR

Vibrations