Geometry & MOs

Info

ID:	293474
PubChem CID:	117390861
Reduced:	NO5C12H17 (1)
Stoich.:	AB5C12D17 (1)
Weight, g/mol:	255.110673
ΔH_f, kcal/mol:	-173.61
Dipole, Da:	4.05
IP(EA), eV:	-9.49(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

COCC1=C(C(=C(C=C1)OC)OC)C(C(=O)O)N

DOS

IR

Vibrations