Geometry & MOs

Info

ID:	192639
PubChem CID:	78295162
Reduced:	ClO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	319.16444
ΔH_f, kcal/mol:	-0.51
Dipole, Da:	2.42
IP(EA), eV:	-9.26(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[amino-(4-methylanilino)methylidene]amino]-6-oxo-1,3-diazinan-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=NNC(=O)C1C(=C2C(=NNC2=O)C)C3=CC(=CC=C3)OCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations