Geometry & MOs

Info

ID:	168375
PubChem CID:	74959794
Reduced:	N2O2H16C17 (1)
Stoich.:	A2B2C16D17 (1)
Weight, g/mol:	307.106925
ΔH_f, kcal/mol:	-15.63
Dipole, Da:	2.73
IP(EA), eV:	-9.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-2-(5-phenylpyrazolidin-3-ylidene)benzimidazole

Drug info:

PubChemData

Smile

C1C(NC(=N1)C2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations