Geometry & MOs

Info

ID:	293314
PubChem CID:	117384163
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-94.94
Dipole, Da:	3.95
IP(EA), eV:	-8.63(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[3-[(dimethylamino)methyl]-2-hydroxy-4-methylphenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)O)CN2CCNCC2)OC

DOS

IR

Vibrations