Geometry & MOs

Info

ID:	233946
PubChem CID:	92277579
Reduced:	N2O4C9H9 (2)
Stoich.:	A2B4C9D9 (2)
Weight, g/mol:	330.110338
ΔH_f, kcal/mol:	-99.14
Dipole, Da:	4.95
IP(EA), eV:	-9.25(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S)-1-(6-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](/C=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])OC2=CC=CC(=C2)OC

DOS

IR

Vibrations