Geometry & MOs

Info

ID:	261243
PubChem CID:	103224037
Reduced:	NO6C11H13 (1)
Stoich.:	AB6C11D13 (1)
Weight, g/mol:	176.104859
ΔH_f, kcal/mol:	-155.57
Dipole, Da:	8.03
IP(EA), eV:	-9.85(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxy-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations