Geometry & MOs

Info

ID:	433502
PubChem CID:	135173639
Reduced:	NO6C12H27 (1)
Stoich.:	AB6C12D27 (1)
Weight, g/mol:	506.18925
ΔH_f, kcal/mol:	-267.92
Dipole, Da:	0.42
IP(EA), eV:	-9.54(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(1R,3R)-3-[4-bromo-3-(1,2-dihydropyridin-4-yl)pyrazol-1-yl]cyclohexyl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CNC(COCCOCCOCCOCCOC)O

DOS

IR

Vibrations