Geometry & MOs

Info

ID:	157222
PubChem CID:	56422414
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-89.95
Dipole, Da:	4.96
IP(EA), eV:	-9.43(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=CC=C(C=C2)C(=O)N3CCCCC3C4OCCO4

DOS

IR

Vibrations