Geometry & MOs

Info

ID:	25184
PubChem CID:	620832
Reduced:	ClN2O3F6H13C14 (1)
Stoich.:	AB2C3D6E13F14 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-428.61
Dipole, Da:	5.81
IP(EA), eV:	-9.48(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)C(F)(F)F)NC(=O)CCl

DOS

IR

Vibrations