Geometry & MOs

Info

ID:	85877
PubChem CID:	49879843
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	249.054314
ΔH_f, kcal/mol:	-17.5
Dipole, Da:	3.78
IP(EA), eV:	-8.26(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7,9-dimethyl-3H-[1,2,5]oxadiazolo[3,4-i][1,5]benzodiazepine;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)/C(=C\NC(=O)NC3=CC=CC(=C3C)C)/C(=N2)C

DOS

IR

Vibrations