Geometry & MOs

Info

ID:	198787
PubChem CID:	79150748
Reduced:	N2O2F3C12H17 (1)
Stoich.:	A2B2C3D12E17 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-223.66
Dipole, Da:	3.42
IP(EA), eV:	-8.97(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-methyl-2-(methylaminomethyl)pyridin-3-yl]oxycycloheptan-1-ol

Drug info:

PubChemData

Smile

CCNCC1=C(C=CC(=N1)C)OCC(C(F)(F)F)O

DOS

IR

Vibrations