Geometry & MOs

Info

ID:	413607
PubChem CID:	135086556
Reduced:	Si3O6C32H68 (1)
Stoich.:	A3B6C32D68 (1)
Weight, g/mol:	272.03281
ΔH_f, kcal/mol:	-503.69
Dipole, Da:	3.51
IP(EA), eV:	-8.78(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

Drug info:

PubChemData

Smile

C[C@H](/C=C/C[C@@H]1[C@H]([C@H]([C@@H](OC1O)CCO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations