Geometry & MOs

Info

ID:	340894
PubChem CID:	127263329
Reduced:	BrCl2N2C8H11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	261.98724
ΔH_f, kcal/mol:	-24.39
Dipole, Da:	2.61
IP(EA), eV:	-9.68(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine;hydrochloride

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]1N)C2=CN=C(C=C2)Br.Cl.Cl

DOS

IR

Vibrations