Geometry & MOs

Info

ID:	303092
PubChem CID:	124489199
Reduced:	ClOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-8.42
Dipole, Da:	3.33
IP(EA), eV:	-8.99(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)OC2=CC=CC=C2)Cl

DOS

IR

Vibrations