Geometry & MOs

Info

ID:	369016
PubChem CID:	127331120
Reduced:	ON5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	363.238273
ΔH_f, kcal/mol:	7.24
Dipole, Da:	2.39
IP(EA), eV:	-8.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=NC=CN=C1)C(=O)NC2CCN(CC2)CC=C

DOS

IR

Vibrations