Geometry & MOs

Info

ID:	292952
PubChem CID:	117366451
Reduced:	ClOF2N3H6C9 (1)
Stoich.:	ABC2D3E6F9 (1)
Weight, g/mol:	245.09827
ΔH_f, kcal/mol:	-41.21
Dipole, Da:	3.32
IP(EA), eV:	-9.86(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)F)Cl)C2=NOC(=N2)CN

DOS

IR

Vibrations