Geometry & MOs

Info

ID:	306686
PubChem CID:	125165318
Reduced:	O2F3N4C16H19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	368.188212
ΔH_f, kcal/mol:	-193.53
Dipole, Da:	7.16
IP(EA), eV:	-9.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(F)(F)F)C(=O)N[C@H](C)C2=NN=CN2CCOC

DOS

IR

Vibrations