Geometry & MOs

Info

ID:	303093
PubChem CID:	124489200
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-104.92
Dipole, Da:	2.74
IP(EA), eV:	-9.09(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl-methylamino]acetic acid

Drug info:

PubChemData

Smile

CN(C[C@@H]1C2=CC=CC=C2CCO1)CC(=O)O

DOS

IR

Vibrations