Geometry & MOs

Info

ID:	372466
PubChem CID:	131298092
Reduced:	ON4C8H10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	212.043321
ΔH_f, kcal/mol:	30.52
Dipole, Da:	2.74
IP(EA), eV:	-9.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-hydroxy-4-nitrobenzoate

Drug info:

PubChemData

Smile

COC1=NC=C(C=N1)C(CC#N)N

DOS

IR

Vibrations