Geometry & MOs

Info

ID:	266857
PubChem CID:	103579769
Reduced:	FCl2N4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	299.027998
ΔH_f, kcal/mol:	0.73
Dipole, Da:	6.54
IP(EA), eV:	-9.14(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3,5-dichloro-4-fluoroanilino)methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)CNC2=CC(=C(C(=C2)Cl)F)Cl

DOS

IR

Vibrations