Geometry & MOs

Info

ID:	243654
PubChem CID:	99233656
Reduced:	F3N3O4C18H28 (1)
Stoich.:	A3B3C4D18E28 (1)
Weight, g/mol:	401.192626
ΔH_f, kcal/mol:	-378.9
Dipole, Da:	8.32
IP(EA), eV:	-9.78(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)[C@H]2CC(=O)N(C2)CC(F)(F)F

DOS

IR

Vibrations