Geometry & MOs

Info

ID:	347035
PubChem CID:	127271539
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	375.201888
ΔH_f, kcal/mol:	-57.78
Dipole, Da:	4.56
IP(EA), eV:	-8.89(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)NCC(=O)NC2=CN=CC=C2

DOS

IR

Vibrations