Geometry & MOs

Info

ID:	433504
PubChem CID:	135173641
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	504.1736
ΔH_f, kcal/mol:	-22.27
Dipole, Da:	2.79
IP(EA), eV:	-8.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCOCC2=NOC=C2

DOS

IR

Vibrations