Geometry & MOs

Info

ID:	260475
PubChem CID:	103192851
Reduced:	BrNO2F3C14H17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	348.00851
ΔH_f, kcal/mol:	-247.28
Dipole, Da:	3.34
IP(EA), eV:	-8.77(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1-methylpyrrol-2-yl)methyl]-2-(trifluoromethoxy)aniline

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)NC2=C(C=C(C=C2)Br)OC(F)(F)F

DOS

IR

Vibrations