Geometry & MOs

Info

ID:	288790
PubChem CID:	104325915
Reduced:	FNO3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	341.02268
ΔH_f, kcal/mol:	-161.64
Dipole, Da:	3.07
IP(EA), eV:	-8.56(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-fluorophenyl)methyl]-4-ethoxy-3-fluoroaniline

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NCC(CO)O)F

DOS

IR

Vibrations