Geometry & MOs

Info

ID:	365999
PubChem CID:	127319304
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	304.164774
ΔH_f, kcal/mol:	6.43
Dipole, Da:	3.14
IP(EA), eV:	-9.69(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)N1CC(CC1=O)C2=NC(=NO2)CN3C=CC=N3

DOS

IR

Vibrations