Geometry & MOs

Info

ID:	324167
PubChem CID:	126677058
Reduced:	N2F3O4C18H27 (1)
Stoich.:	A2B3C4D18E27 (1)
Weight, g/mol:	294.155512
ΔH_f, kcal/mol:	-379.34
Dipole, Da:	5.24
IP(EA), eV:	-9.66(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-ethyl-3-methyl-2-(1-nitrosoethyl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1[C@H]2CC3C[C@@H]1C([C@H]2O)N(C3)C(=O)CC(F)(F)F

DOS

IR

Vibrations