Geometry & MOs

Info

ID:	150114
PubChem CID:	53789800
Reduced:	ON4H13C15 (2)
Stoich.:	AB4C13D15 (2)
Weight, g/mol:	411.040454
ΔH_f, kcal/mol:	138.59
Dipole, Da:	3.42
IP(EA), eV:	-8.53(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dichlorophenyl)-[[3-(trifluoromethyl)phenyl]methoxy]methyl]pyridine

Drug info:

PubChemData

Smile

C1CN(CCC1=O)CC2=NC(=NO2)C3=CC4=C(C=C3)N=CN=C4NC5=CC6=C(C=C5)N(N=C6)CC7=CC=CC=C7

DOS

IR

Vibrations