Geometry & MOs

Info

ID:	344063
PubChem CID:	127267239
Reduced:	F2N2O2C13H16 (1)
Stoich.:	A2B2C2D13E16 (1)
Weight, g/mol:	336.216141
ΔH_f, kcal/mol:	-165.16
Dipole, Da:	4.36
IP(EA), eV:	-9.15(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-6-methylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)N2CC(C2)(C(F)F)O

DOS

IR

Vibrations