Geometry & MOs

Info

ID:	217986
PubChem CID:	85088696
Reduced:	NCl2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-78.06
Dipole, Da:	1.91
IP(EA), eV:	-8.29(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,3-benzodioxol-5-yl)-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations