Geometry & MOs

Info

ID:	292479
PubChem CID:	115001566
Reduced:	O3N4C9H12 (1)
Stoich.:	A3B4C9D12 (1)
Weight, g/mol:	224.104859
ΔH_f, kcal/mol:	3.69
Dipole, Da:	3.14
IP(EA), eV:	-9.05(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(hydroxymethyl)phenoxy]-2-methylpropanoate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(NN=C2)[N+](=O)[O-])C=O

DOS

IR

Vibrations