Geometry & MOs

Info

ID:	383146
PubChem CID:	134974709
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	377.197751
ΔH_f, kcal/mol:	-33.16
Dipole, Da:	3.3
IP(EA), eV:	-8.89(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-1-[2-(2-methyl-3-oxo-5,9b-dihydroimidazo[5,1-a]isoindol-2-ium-1-yl)phenyl]-3-propylurea

Drug info:

PubChemData

Smile

CCCN1C(=O)N(C2=CC=CC=C2[C@]13C4C5=CC=CC=C5CN4C(=O)N3C)C

DOS

IR

Vibrations