Geometry & MOs

Info

ID:	172513
PubChem CID:	75519310
Reduced:	NO3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	289.98745
ΔH_f, kcal/mol:	-130.29
Dipole, Da:	1.9
IP(EA), eV:	-8.68(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dichloroquinoxalin-2-yl)-1,2,4-triazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)CNCC(C)(C)C(=O)OC

DOS

IR

Vibrations