Geometry & MOs

Info

ID:	246060
PubChem CID:	103040981
Reduced:	ClFNC11H15 (1)
Stoich.:	ABCD11E15 (1)
Weight, g/mol:	271.150306
ΔH_f, kcal/mol:	-49.43
Dipole, Da:	3.65
IP(EA), eV:	-9.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations