Geometry & MOs

Info

ID:	29923
PubChem CID:	838271
Reduced:	ClNO4H12C18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	230.121927
ΔH_f, kcal/mol:	-80.84
Dipole, Da:	3.03
IP(EA), eV:	-9.33(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-12-fluoro-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=C(C=C1)Cl)/C=C/2\C(=O)OC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations