Geometry & MOs

Info

ID:	246062
PubChem CID:	103041078
Reduced:	ClFNC13H19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	257.134656
ΔH_f, kcal/mol:	-58.41
Dipole, Da:	4.42
IP(EA), eV:	-9.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenyl)methyl]-N-ethyl-2-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCC(C)(CC1=CC(=C(C=C1)F)Cl)CNC

DOS

IR

Vibrations