Geometry & MOs

Info

ID:	246068
PubChem CID:	103041241
Reduced:	ClFN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	249.048733
ΔH_f, kcal/mol:	-5.64
Dipole, Da:	1.85
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NCC1=CN(N=C1)CC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations