Geometry & MOs

Info

ID:	335455
PubChem CID:	127254317
Reduced:	N2O4C15H19 (1)
Stoich.:	A2B4C15D19 (1)
Weight, g/mol:	364.117155
ΔH_f, kcal/mol:	-100.21
Dipole, Da:	9.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.837760
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-(5-naphthalen-2-yl-2-oxo-1,3-dihydroimidazol-4-yl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=C([N+](=C(N1O)C(CC(=O)O)C2=CC(=CC=C2)O)C)C

DOS

IR

Vibrations