Geometry & MOs

Info

ID:	246201
PubChem CID:	103048708
Reduced:	ClFNC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	303.119006
ΔH_f, kcal/mol:	6.12
Dipole, Da:	1.76
IP(EA), eV:	-9.06(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine

Drug info:

PubChemData

Smile

CNC(CC1=C(C=CC(=C1)Cl)F)C2CC3=CC=CC=C23

DOS

IR

Vibrations