Geometry & MOs

Info

ID:	40316
PubChem CID:	8143920
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	54.13
Dipole, Da:	5.83
IP(EA), eV:	-9.27(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(5R)-3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-5-propylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

DOS

IR

Vibrations