Geometry & MOs

Info

ID:	225771
PubChem CID:	87225999
Reduced:	N2F3O6C19H23 (1)
Stoich.:	A2B3C6D19E23 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-382.32
Dipole, Da:	5.5
IP(EA), eV:	-8.52(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[7-(diethylamino)-2-oxochromen-4-yl]-methylamino]propanoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)N(C)[C@@H](C)C(=O)O.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations