Geometry & MOs

Info

ID:	191681
PubChem CID:	78176432
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	278.101505
ΔH_f, kcal/mol:	-97.51
Dipole, Da:	4.77
IP(EA), eV:	-9.17(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-6-(2-phenylethylamino)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C(NC(=O)NC1=O)NCCOC2=CC=CC=C2

DOS

IR

Vibrations