Geometry & MOs

Info

ID:	176509
PubChem CID:	76061780
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	411.00397
ΔH_f, kcal/mol:	-61.53
Dipole, Da:	9.01
IP(EA), eV:	-9.76(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diazonio-[3,4-dihydroxy-2-(iodomethyl)-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]azanide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations