Geometry & MOs

Info

ID:	246069
PubChem CID:	103041333
Reduced:	FNCl2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	263.064383
ΔH_f, kcal/mol:	-59.24
Dipole, Da:	4.08
IP(EA), eV:	-9.45(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations