Geometry & MOs

Info

ID:	375041
PubChem CID:	131465311
Reduced:	O2N3C8H11 (1)
Stoich.:	A2B3C8D11 (1)
Weight, g/mol:	296.96123
ΔH_f, kcal/mol:	-13.38
Dipole, Da:	6.04
IP(EA), eV:	-9.77(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-amino-2-bromo-3-(trifluoromethoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(NOC1=O)C(CCN)C#N

DOS

IR

Vibrations