Geometry & MOs

Info

ID:	193461
PubChem CID:	78397914
Reduced:	ON4H20C23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	383.138225
ΔH_f, kcal/mol:	122.46
Dipole, Da:	5.27
IP(EA), eV:	-8.36(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-nitrophenyl)-4-phenylpyrazolidin-3-ylidene]benzimidazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(C(=C3N=C4C=CC=CC4=N3)NN2)C5=CC=CC=C5

DOS

IR

Vibrations