Geometry & MOs

Info

ID:	444296
PubChem CID:	135261975
Reduced:	ClNO2F3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	333.074341
ΔH_f, kcal/mol:	-215.26
Dipole, Da:	2.34
IP(EA), eV:	-9.13(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-11-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-trien-10-yl) 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1CC2CCNCC3=C2C(=C(C=C3)Cl)C1.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations