Geometry & MOs

Info

ID:	170593
PubChem CID:	75258297
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	291.11201
ΔH_f, kcal/mol:	-41.29
Dipole, Da:	3.14
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-phenyl-2,3-dihydro-1H-1,2,4-triazol-5-yl)-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

CCC1NC(CC(=O)N1)C2CCN(CC2)C(=O)C3=NN(C4=CC=CC=C43)C

DOS

IR

Vibrations