Geometry & MOs

Info

ID:	260476
PubChem CID:	103192901
Reduced:	BrON2F3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	333.99286
ΔH_f, kcal/mol:	-152.26
Dipole, Da:	5.82
IP(EA), eV:	-8.79(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(1H-pyrrol-3-ylmethyl)-2-(trifluoromethoxy)aniline

Drug info:

PubChemData

Smile

CN1C=CC=C1CNC2=C(C=C(C=C2)Br)OC(F)(F)F

DOS

IR

Vibrations