Geometry & MOs

Info

ID:	161534
PubChem CID:	57391922
Reduced:	FN4H9C13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	331.179696
ΔH_f, kcal/mol:	75.34
Dipole, Da:	2.22
IP(EA), eV:	-9.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(2-adamantyl)triazol-4-yl]quinoxaline

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=CN(N=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations