Geometry & MOs

Info

ID:	124438
PubChem CID:	50883582
Reduced:	ClN2O5C23H23 (1)
Stoich.:	AB2C5D23E23 (1)
Weight, g/mol:	351.085521
ΔH_f, kcal/mol:	-123.2
Dipole, Da:	8.4
IP(EA), eV:	-8.66(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)Cl)C(=O)OC(C)C

DOS

IR

Vibrations