Geometry & MOs

Info

ID:	275436
PubChem CID:	103815971
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	350.98869
ΔH_f, kcal/mol:	-76.52
Dipole, Da:	0.8
IP(EA), eV:	-8.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-iodo-N-(oxan-3-ylmethyl)aniline

Drug info:

PubChemData

Smile

C1CC(COC1)CNC2=C(C=CC=C2Br)F

DOS

IR

Vibrations