Geometry & MOs

Info

ID:	127110
PubChem CID:	50991104
Reduced:	O2N6C27H28 (1)
Stoich.:	A2B6C27D28 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	74.93
Dipole, Da:	4.03
IP(EA), eV:	-8.38(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1CC1)CC2=CC3=C(N=C2)OC4=C3N=C(N=C4N5CCOCC5)C6=C7C=CNC7=CC=C6

DOS

IR

Vibrations