Geometry & MOs

Info

ID:	412732
PubChem CID:	135085646
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	270.042312
ΔH_f, kcal/mol:	-147.31
Dipole, Da:	2.34
IP(EA), eV:	-10.17(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-2-[3-(trifluoromethyl)phenyl]benzene

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1OCC=CCO1

DOS

IR

Vibrations