Geometry & MOs

Info

ID:	192328
PubChem CID:	78257055
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	394.10391
ΔH_f, kcal/mol:	-106.1
Dipole, Da:	3.11
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[1-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]ethenylamino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=C)C3C(=O)NC(=O)N(C3=O)C4CCCCC4

DOS

IR

Vibrations