Geometry & MOs

Info

ID:	288791
PubChem CID:	104325951
Reduced:	BrNOF2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	297.073198
ΔH_f, kcal/mol:	-87.27
Dipole, Da:	3.44
IP(EA), eV:	-8.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxy-3-fluoroaniline

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NCC2=CC(=CC(=C2)Br)F)F

DOS

IR

Vibrations