Geometry & MOs

Info

ID:	10049
PubChem CID:	96579
Reduced:	BrClFN2C17H17 (1)
Stoich.:	ABCD2E17F17 (1)
Weight, g/mol:	382.02477
ΔH_f, kcal/mol:	12.0
Dipole, Da:	2.42
IP(EA), eV:	-8.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromophenyl)iminomethyl]-N-(2-chloroethyl)-N-(2-fluoroethyl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NC2=CC=C(C=C2)Br)N(CCF)CCCl

DOS

IR

Vibrations