Geometry & MOs

Info

ID:	22425
PubChem CID:	597182
Reduced:	NO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	-140.03
Dipole, Da:	4.81
IP(EA), eV:	-8.39(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(3,4-dimethoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(CC(=O)O)N)OC

DOS

IR

Vibrations