Geometry & MOs

Info

ID:	205976
PubChem CID:	80185229
Reduced:	BrNOF2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	242.062219
ΔH_f, kcal/mol:	-92.48
Dipole, Da:	3.34
IP(EA), eV:	-9.73(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-8-fluoro-3,3a,4,5,10,10a-hexahydro-1H-furo[3,4-b][1,5]benzodiazepine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)CC2=CC(=C(C=C2)F)F)Br

DOS

IR

Vibrations