Geometry & MOs

Info

ID:	261
PubChem CID:	2441
Reduced:	BrON3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	315.00072
ΔH_f, kcal/mol:	44.72
Dipole, Da:	3.38
IP(EA), eV:	-9.33(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3

DOS

IR

Vibrations