Geometry & MOs

Info

ID:	275847
PubChem CID:	103818394
Reduced:	ClFON2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	251.05132
ΔH_f, kcal/mol:	-20.03
Dipole, Da:	5.02
IP(EA), eV:	-8.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-5-fluoroanilino)methyl]phenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC2=CC(=CC(=C2)Cl)F)C#N

DOS

IR

Vibrations