Geometry & MOs

Info

ID:	211706
PubChem CID:	81049998
Reduced:	BrFNCl2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	345.025411
ΔH_f, kcal/mol:	-27.96
Dipole, Da:	1.33
IP(EA), eV:	-9.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dichlorophenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=C(C=C(C(=C1)C)F)Cl)C2=C(C=CC(=C2)Br)Cl

DOS

IR

Vibrations