Geometry & MOs

Info

ID:	346973
PubChem CID:	127271477
Reduced:	ON5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	389.217538
ΔH_f, kcal/mol:	-15.3
Dipole, Da:	2.66
IP(EA), eV:	-8.83(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

Drug info:

PubChemData

Smile

C1CC1N2CCC(CC2)NC(=O)N3CCC(CC3)C4=NC=CN4

DOS

IR

Vibrations