Geometry & MOs

Info

ID:	157545
PubChem CID:	56435646
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	440.278741
ΔH_f, kcal/mol:	-41.08
Dipole, Da:	7.55
IP(EA), eV:	-8.69(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN=C(O2)CCC(=O)NC3=CC(=NN3C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations