Geometry & MOs

Info

ID:	269844
PubChem CID:	103619366
Reduced:	NSO2F3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	370.93434
ΔH_f, kcal/mol:	-216.72
Dipole, Da:	2.59
IP(EA), eV:	-8.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[(4-methylanilino)methyl]phenol

Drug info:

PubChemData

Smile

C1COC2=CC=CC(=C2OC1)CNCCSC(F)(F)F

DOS

IR

Vibrations