Geometry & MOs

Info

ID:	292562
PubChem CID:	116933591
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	230.098604
ΔH_f, kcal/mol:	-47.66
Dipole, Da:	3.9
IP(EA), eV:	-8.61(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-fluorophenyl)-3-methylbutane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(CC(C1=CC2=C(C=C1)OCCC2)N)N

DOS

IR

Vibrations