Geometry & MOs

Info

ID:	198057
PubChem CID:	79039682
Reduced:	NO2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	287.032476
ΔH_f, kcal/mol:	-208.33
Dipole, Da:	4.99
IP(EA), eV:	-9.34(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)NCC2(CCOCC2)O

DOS

IR

Vibrations