Geometry & MOs

Info

ID:	266852
PubChem CID:	103579763
Reduced:	FNCl2H6C9 (1)
Stoich.:	ABC2D6E9 (1)
Weight, g/mol:	306.984609
ΔH_f, kcal/mol:	4.11
Dipole, Da:	4.54
IP(EA), eV:	-8.93(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-fluoroaniline

Drug info:

PubChemData

Smile

C#CCNC1=CC(=C(C(=C1)Cl)F)Cl

DOS

IR

Vibrations