Geometry & MOs

Info

ID:	294319
PubChem CID:	117452921
Reduced:	BrNO3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	281.0027
ΔH_f, kcal/mol:	-38.74
Dipole, Da:	6.97
IP(EA), eV:	-9.81(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2,4,6-trifluorophenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Br)C2=CC(=NO2)C(=O)O

DOS

IR

Vibrations