Geometry & MOs

Info

ID:	426048
PubChem CID:	135135451
Reduced:	N2F3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-157.06
Dipole, Da:	4.59
IP(EA), eV:	-8.45(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[(2,6-dimethylpyridin-4-yl)methyl]-2-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1C=C(C=C(N1)CC2CCNC2)C(F)(F)F

DOS

IR

Vibrations