Geometry & MOs

Info

ID:	427285
PubChem CID:	135156669
Reduced:	BrO3N4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	504.1736
ΔH_f, kcal/mol:	-117.17
Dipole, Da:	10.42
IP(EA), eV:	-8.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-bromo-3-(3-pyridin-4-ylpyrazol-1-yl)cyclohexyl]oxy-2-tert-butylpiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)OC2CCC(C(C2)N3C=CC(=N3)C4=CC=NC=C4)Br

DOS

IR

Vibrations