Geometry & MOs

Info

ID:	192329
PubChem CID:	78257056
Reduced:	N3O6H16C20 (1)
Stoich.:	A3B6C16D20 (1)
Weight, g/mol:	395.111735
ΔH_f, kcal/mol:	-112.31
Dipole, Da:	19.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.892959
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=O)C(=C)NC3=CC=CC(=C3)C(=O)[O-]

DOS

IR

Vibrations