Geometry & MOs

Info

ID:	199789
PubChem CID:	79295340
Reduced:	ClN2H4C6 (2)
Stoich.:	AB2C4D6 (2)
Weight, g/mol:	310.03169
ΔH_f, kcal/mol:	75.61
Dipole, Da:	5.96
IP(EA), eV:	-9.06(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-10-ethyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)N2C3=C(C=NC=C3)N=C2N)Cl

DOS

IR

Vibrations