Geometry & MOs

Info

ID:	318298
PubChem CID:	126650390
Reduced:	NO5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	296.113648
ΔH_f, kcal/mol:	-210.41
Dipole, Da:	4.89
IP(EA), eV:	-9.18(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-propan-2-yloxypyridin-3-yl)-4-(trifluoromethyl)aniline

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(CCN1C(=O)O)C2=CC(=CC=C2)OCCOC)CO

DOS

IR

Vibrations