Geometry & MOs

Info

ID:	288783
PubChem CID:	104325804
Reduced:	BrClFNOC16H16 (1)
Stoich.:	ABCDEF16G16 (1)
Weight, g/mol:	287.168543
ΔH_f, kcal/mol:	-53.8
Dipole, Da:	1.14
IP(EA), eV:	-8.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-3-fluoro-N-(1-phenylbutan-2-yl)aniline

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(C)C2=C(C=C(C=C2)Br)Cl)F

DOS

IR

Vibrations