Geometry & MOs

Info

ID:	28374
PubChem CID:	827253
Reduced:	ON2C20H30 (1)
Stoich.:	AB2C20D30 (1)
Weight, g/mol:	333.075427
ΔH_f, kcal/mol:	-37.4
Dipole, Da:	3.82
IP(EA), eV:	-8.22(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(2-chloro-7-fluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)C3CCCC3

DOS

IR

Vibrations