Geometry & MOs

Info

ID:	246199
PubChem CID:	103048607
Reduced:	ClFNH15C18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	275.087705
ΔH_f, kcal/mol:	2.19
Dipole, Da:	1.36
IP(EA), eV:	-8.82(-0.58)
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)ethanamine

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(CC3=C(C=CC(=C3)Cl)F)N

DOS

IR

Vibrations