Geometry & MOs

Info

ID:	319248
PubChem CID:	126655428
Reduced:	FO4N6C30H33 (1)
Stoich.:	AB4C6D30E33 (1)
Weight, g/mol:	334.16166
ΔH_f, kcal/mol:	-99.94
Dipole, Da:	4.97
IP(EA), eV:	-8.74(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)OC5CCC(CC5)N(C)C

DOS

IR

Vibrations