Geometry & MOs

Info

ID:	282037
PubChem CID:	103914698
Reduced:	ClFON2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	241.103355
ΔH_f, kcal/mol:	-57.31
Dipole, Da:	4.36
IP(EA), eV:	-9.2(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-methylbut-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC(C)C2=CC(=C(C=C2)Cl)F)C

DOS

IR

Vibrations