Geometry & MOs

Info

ID:	124319
PubChem CID:	50878602
Reduced:	O5C23H32 (1)
Stoich.:	A5B23C32 (1)
Weight, g/mol:	221.015603
ΔH_f, kcal/mol:	-243.72
Dipole, Da:	2.38
IP(EA), eV:	-9.52(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-fluoro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

Drug info:

PubChemData

Smile

CC(=O)OC1CC[C@@]2(C3CC[C@]4(C(C3C(=O)C=C2C1)CCC45OCCO5)C)C

DOS

IR

Vibrations