Geometry & MOs

Info

ID:	246217
PubChem CID:	103050042
Reduced:	FNCl3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	326.9687
ΔH_f, kcal/mol:	-65.0
Dipole, Da:	2.43
IP(EA), eV:	-9.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-fluorophenyl)methyl]-3-iodopropan-1-amine

Drug info:

PubChemData

Smile

CC(CCl)(CCl)NCC1=C(C=CC(=C1)Cl)F

DOS

IR

Vibrations