Geometry & MOs

Info

ID:	187555
PubChem CID:	77591222
Reduced:	ClO4N5C28H28 (1)
Stoich.:	AB4C5D28E28 (1)
Weight, g/mol:	430.305624
ΔH_f, kcal/mol:	-63.98
Dipole, Da:	6.14
IP(EA), eV:	-8.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]propoxy]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CO)COC2=CC=CC3=C2C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC=CC=N5)Cl

DOS

IR

Vibrations