Geometry & MOs

Info

ID:	270597
PubChem CID:	103637216
Reduced:	BrNOF2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	281.069734
ΔH_f, kcal/mol:	-94.64
Dipole, Da:	4.22
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-6-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1F)F)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations