Geometry & MOs

Info

ID:	243655
PubChem CID:	99233709
Reduced:	F3N3O3C19H26 (1)
Stoich.:	A3B3C3D19E26 (1)
Weight, g/mol:	444.253669
ΔH_f, kcal/mol:	-302.9
Dipole, Da:	8.15
IP(EA), eV:	-9.77(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C(F)(F)F)C(=O)N2CCC[C@H](C2)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations