Geometry & MOs

Info

ID:	165207
PubChem CID:	74516246
Reduced:	BrN3O4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	285.051634
ΔH_f, kcal/mol:	-50.08
Dipole, Da:	6.42
IP(EA), eV:	-9.0(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-chloro-2-nitrophenyl)hydrazinylidene]butanoate

Drug info:

PubChemData

Smile

CC(=NNC1=C(C=C(C=C1)Br)[N+](=O)[O-])CC(=O)OC

DOS

IR

Vibrations