Geometry & MOs

Info

ID:	243650
PubChem CID:	99233645
Reduced:	F3O3N4C25H31 (1)
Stoich.:	A3B3C4D25E31 (1)
Weight, g/mol:	495.245724
ΔH_f, kcal/mol:	-246.98
Dipole, Da:	6.18
IP(EA), eV:	-9.33(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C4CC4

DOS

IR

Vibrations