Geometry & MOs

Info

ID:	23090
PubChem CID:	601785
Reduced:	NO5C9H9 (1)
Stoich.:	AB5C9D9 (1)
Weight, g/mol:	211.048072
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	2.15
IP(EA), eV:	-10.11(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-4-methyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)OC)O)[N+](=O)[O-]

DOS

IR

Vibrations