Geometry & MOs

Info

ID:	397010
PubChem CID:	135029595
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	331.132077
ΔH_f, kcal/mol:	-95.29
Dipole, Da:	4.92
IP(EA), eV:	-9.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3,6-dibenzylidene-7-nitro-5,7-dihydro-2H-pyrrolo[1,2-a]imidazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=O)C1(CC=C)CC=C

DOS

IR

Vibrations