Geometry & MOs

Info

ID:	720
PubChem CID:	3261
Reduced:	ClN4H11C16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	294.067224
ΔH_f, kcal/mol:	121.33
Dipole, Da:	6.28
IP(EA), eV:	-9.82(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Drug info:

PubChemData

Smile

C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4

DOS

IR

Vibrations