Geometry & MOs

Info

ID:	179399
PubChem CID:	76477538
Reduced:	FO5N6C21H23 (1)
Stoich.:	AB5C6D21E23 (1)
Weight, g/mol:	349.00218
ΔH_f, kcal/mol:	-117.58
Dipole, Da:	7.67
IP(EA), eV:	-8.86(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(5-bromo-2,4-dioxo-1,3-diazinan-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-diazonioazanide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCNC(C3)C4=NC=C(C=C4)[N+](=O)[O-])F

DOS

IR

Vibrations