Geometry & MOs

Info

ID:	267995
PubChem CID:	103594362
Reduced:	FN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	276.163791
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	5.94
IP(EA), eV:	-9.75(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-8-methylspiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cycloheptane]-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)[N+](=O)[O-])OC2CNC2

DOS

IR

Vibrations