Geometry & MOs

Info

ID:	205983
PubChem CID:	80186321
Reduced:	BrN3C12H16 (1)
Stoich.:	AB3C12D16 (1)
Weight, g/mol:	348.01349
ΔH_f, kcal/mol:	20.43
Dipole, Da:	3.98
IP(EA), eV:	-8.83(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-7-iodo-10-methyl-1,3,3a,4,5,10a-hexahydrofuro[3,4-b][1,5]benzodiazepine

Drug info:

PubChemData

Smile

C1CCC2(C1)CCNC3=C(N2)N=CC(=C3)Br

DOS

IR

Vibrations