Geometry & MOs

Info

ID:	802
PubChem CID:	3373
Reduced:	FN3O3H14C15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	303.101919
ΔH_f, kcal/mol:	-110.95
Dipole, Da:	2.75
IP(EA), eV:	-9.9(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C

DOS

IR

Vibrations