Geometry & MOs

Info

ID:	266861
PubChem CID:	103579775
Reduced:	FOCl2N2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	273.023581
ΔH_f, kcal/mol:	-59.25
Dipole, Da:	6.59
IP(EA), eV:	-8.9(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC2=CC(=C(C(=C2)Cl)F)Cl)C

DOS

IR

Vibrations