Geometry & MOs

Info

ID:	165612
PubChem CID:	74575493
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	285.94634
ΔH_f, kcal/mol:	-122.27
Dipole, Da:	7.89
IP(EA), eV:	-8.61(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-[bromo(nitro)methylidene]hydrazinyl]benzoate

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)CCCC(=O)NC2=CC=CC(=C2)N

DOS

IR

Vibrations