Geometry & MOs

Info

ID:	407549
PubChem CID:	135080296
Reduced:	ClO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	253.011741
ΔH_f, kcal/mol:	-120.88
Dipole, Da:	2.08
IP(EA), eV:	-10.31(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-chloro-3,3,3-trifluoropropyl)-4-nitrobenzene

Drug info:

PubChemData

Smile

CC(=O)C([C@@H]1CCCCC[C@H]1Cl)C(=O)C

DOS

IR

Vibrations