Geometry & MOs

Info

ID:	307712
PubChem CID:	125308446
Reduced:	OSI2N4C15H16 (1)
Stoich.:	ABC2D4E15F16 (1)
Weight, g/mol:	300.169859
ΔH_f, kcal/mol:	117.63
Dipole, Da:	4.87
IP(EA), eV:	-9.17(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-ethyl-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H]2N=NC(=S)N2NC=C3C=C(C=C(C3=O)I)I

DOS

IR

Vibrations