Geometry & MOs

Info

ID:	23970
PubChem CID:	607264
Reduced:	NO2C4H4 (2)
Stoich.:	AB2C4D4 (2)
Weight, g/mol:	196.048407
ΔH_f, kcal/mol:	-76.65
Dipole, Da:	5.21
IP(EA), eV:	-9.56(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-nitrobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N

DOS

IR

Vibrations