Geometry & MOs

Info

ID:	191672
PubChem CID:	78175426
Reduced:	ClN2O3H7C16 (1)
Stoich.:	AB2C3D7E16 (1)
Weight, g/mol:	173.080041
ΔH_f, kcal/mol:	12.66
Dipole, Da:	4.81
IP(EA), eV:	-9.93(-2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-6-oxo-1,3-diazinane-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3C(=CC=C4C3=NC(=O)C(=N4)Cl)C2=O

DOS

IR

Vibrations