Geometry & MOs

Info

ID:	395549
PubChem CID:	135025778
Reduced:	NPO7C15H26 (1)
Stoich.:	ABC7D15E26 (1)
Weight, g/mol:	359.965573
ΔH_f, kcal/mol:	-305.39
Dipole, Da:	5.3
IP(EA), eV:	-9.91(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[2-chloro-3-(trifluoromethyl)pyridin-4-yl]-3-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CCOP(=O)([C@](CC#C)(C(=O)C)ONC(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations