Geometry & MOs

Info

ID:	53557
PubChem CID:	14716629
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	246.065635
ΔH_f, kcal/mol:	-69.13
Dipole, Da:	3.18
IP(EA), eV:	-9.88(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(trifluoromethyl)anthracene

Drug info:

PubChemData

Smile

CCCCCC/C(=N\OC(=O)C1=CC=CC=C1)/N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations