Geometry & MOs

Info

ID:	45365
PubChem CID:	10512043
Reduced:	N3O3C8H9 (1)
Stoich.:	A3B3C8D9 (1)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	2.58
Dipole, Da:	8.38
IP(EA), eV:	-10.5(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-hydroxy-4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C1[C@H](C=C[C@H]1O)N2C=C(N=C2)[N+](=O)[O-]

DOS

IR

Vibrations