Geometry & MOs

Info

ID:	368979
PubChem CID:	127331083
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	334.211724
ΔH_f, kcal/mol:	-11.52
Dipole, Da:	4.65
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylpiperidin-3-yl)-3-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)N(C)CC2=NC=CN=C2

DOS

IR

Vibrations