Geometry & MOs

Info

ID:	246076
PubChem CID:	103042441
Reduced:	ClNF2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	257.09827
ΔH_f, kcal/mol:	-103.9
Dipole, Da:	4.25
IP(EA), eV:	-9.19(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(3-chloro-4-fluorophenyl)heptan-2-one

Drug info:

PubChemData

Smile

C1CNCCC1C(CC2=CC(=C(C=C2)F)Cl)F

DOS

IR

Vibrations