Geometry & MOs

Info

ID:	330398
PubChem CID:	127247385
Reduced:	N5C14H21 (1)
Stoich.:	A5B14C21 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	64.7
Dipole, Da:	3.39
IP(EA), eV:	-8.85(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations