Geometry & MOs

Info

ID:	303768
PubChem CID:	124490150
Reduced:	ClO2F3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-216.87
Dipole, Da:	2.46
IP(EA), eV:	-10.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-5,6-dimethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)COC([C@@H](F)Cl)(F)F

DOS

IR

Vibrations