Geometry & MOs

Info

ID:	427284
PubChem CID:	135156668
Reduced:	BrO3N4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	504.1736
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	13.47
IP(EA), eV:	-8.31(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[4-bromo-3-(3-pyridin-4-ylpyrazol-1-yl)cyclohexyl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1[C@@H](CCCN1C(=O)O)OC2CCC(C(C2)N3C=CC(=N3)C4=CC=NC=C4)Br

DOS

IR

Vibrations