Geometry & MOs

Info

ID:	192973
PubChem CID:	78330268
Reduced:	N3O3C16H24 (1)
Stoich.:	A3B3C16D24 (1)
Weight, g/mol:	305.173942
ΔH_f, kcal/mol:	-100.96
Dipole, Da:	5.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.071792
Charge, e:	0

Chem-info

IUPAC name:

5-[diethylamino-(4-methylphenyl)methyl]-6-hydroxy-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC[NH+](CC)C(C1C(NC(=O)NC1=O)O)C2=CC=C(C=C2)C

DOS

IR

Vibrations