Geometry & MOs

Info

ID:	203766
PubChem CID:	79867767
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	259.129632
ΔH_f, kcal/mol:	8.51
Dipole, Da:	4.02
IP(EA), eV:	-8.98(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[4-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC1CN(CCC1N)C2=C(C=C(C=N2)C)[N+](=O)[O-]

DOS

IR

Vibrations