Geometry & MOs

Info

ID:	160987
PubChem CID:	57390443
Reduced:	ClN5H14C17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	260.082874
ΔH_f, kcal/mol:	117.44
Dipole, Da:	5.68
IP(EA), eV:	-9.94(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NCC2=NN=C(N2C3=C1C=C(C=C3)Cl)C4=CC=NC=C4

DOS

IR

Vibrations