Geometry & MOs

Info

ID:	319249
PubChem CID:	126655429
Reduced:	O2F3N4C14H21 (1)
Stoich.:	A2B3C4D14E21 (1)
Weight, g/mol:	334.16166
ΔH_f, kcal/mol:	-237.47
Dipole, Da:	5.1
IP(EA), eV:	-8.91(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@]1(CCCN(C1)C2=CC=NN2)C(F)(F)F

DOS

IR

Vibrations