Geometry & MOs

Info

ID:	148123
PubChem CID:	53787785
Reduced:	N2O3H16C18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	308.116092
ΔH_f, kcal/mol:	-62.56
Dipole, Da:	7.45
IP(EA), eV:	-9.38(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]quinoline-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CO)NC(=O)C2=C(C3=C(C=CC=N3)C=C2)O

DOS

IR

Vibrations