Geometry & MOs

Info

ID:	143753
PubChem CID:	53254438
Reduced:	ClN2O6C19H25 (1)
Stoich.:	AB2C6D19E25 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-250.86
Dipole, Da:	1.71
IP(EA), eV:	-9.33(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-1-hydroxy-5-methyl-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CC2=C(C=C(C=C2)Cl)N(C1=O)OC(=O)OC(C)(C)C

DOS

IR

Vibrations