Geometry & MOs

Info

ID:	271352
PubChem CID:	103656425
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	276.144948
ΔH_f, kcal/mol:	-10.67
Dipole, Da:	3.98
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[[5-(trifluoromethyl)pyridin-2-yl]amino]pentan-2-ol

Drug info:

PubChemData

Smile

CCC(CC)C(CNC1=C(C=CC=N1)C#N)O

DOS

IR

Vibrations