Geometry & MOs

Info

ID:	444346
PubChem CID:	135262131
Reduced:	INSO4H18C20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	339.144613
ΔH_f, kcal/mol:	-51.08
Dipole, Da:	3.81
IP(EA), eV:	-8.34(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopropyl-11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-10-yl) 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=CSC2=C1C(=C(C=C2OCC3=CC=CC=C3)OC(=O)NC[C@@H]4CO4)I

DOS

IR

Vibrations