Geometry & MOs

Info

ID:	41446
PubChem CID:	8145900
Reduced:	ClO2N5C18H18 (1)
Stoich.:	AB2C5D18E18 (1)
Weight, g/mol:	376.211055
ΔH_f, kcal/mol:	80.47
Dipole, Da:	3.86
IP(EA), eV:	-8.69(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations