Geometry & MOs

Info

ID:	171941
PubChem CID:	75444151
Reduced:	ClSF2N2O3C19H19 (1)
Stoich.:	ABC2D2E3F19G19 (1)
Weight, g/mol:	327.192232
ΔH_f, kcal/mol:	-189.37
Dipole, Da:	7.3
IP(EA), eV:	-9.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-1,1,1-trifluoro-4-phenylbutan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3=C(C(=C(C=C3)F)Cl)F

DOS

IR

Vibrations