Geometry & MOs

Info

ID:	280803
PubChem CID:	103851354
Reduced:	F2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	303.068255
ΔH_f, kcal/mol:	-138.61
Dipole, Da:	2.55
IP(EA), eV:	-8.6(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-N-[(3,5-difluorophenyl)methyl]-3-fluoroaniline

Drug info:

PubChemData

Smile

COC(=O)NC1=CC=CC(=C1)NCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations