Geometry & MOs

Info

ID:	287299
PubChem CID:	104234323
Reduced:	ClFNOSC14H15 (1)
Stoich.:	ABCDEF14G15 (1)
Weight, g/mol:	285.152892
ΔH_f, kcal/mol:	-36.96
Dipole, Da:	3.26
IP(EA), eV:	-9.16(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-fluorophenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC2=CC=C(S2)Cl)F)NC

DOS

IR

Vibrations