Geometry & MOs

Info

ID:	185245
PubChem CID:	77275094
Reduced:	O2N6C25H40 (1)
Stoich.:	A2B6C25D40 (1)
Weight, g/mol:	448.296203
ΔH_f, kcal/mol:	-90.51
Dipole, Da:	5.32
IP(EA), eV:	-8.76(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(2-tert-butyl-6-propylpyrimidin-4-yl)piperazin-1-yl]butyl]-5-fluoro-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCC1=CC(=NC(=N1)C(C)(C)C)N2CCN(CC2)CC=C(C)CN3CC(C(=O)NC3=O)C

DOS

IR

Vibrations