Geometry & MOs

Info

ID:	351305
PubChem CID:	127280193
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	391.221954
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	4.97
IP(EA), eV:	-9.13(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperazin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations