Geometry & MOs

Info

ID:	165208
PubChem CID:	74516247
Reduced:	ClN3O4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	237.074956
ΔH_f, kcal/mol:	-61.47
Dipole, Da:	6.47
IP(EA), eV:	-8.93(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-nitrophenyl)hydrazinylidene]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations