Geometry & MOs

Info

ID:	185244
PubChem CID:	77275093
Reduced:	NF2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	456.321275
ΔH_f, kcal/mol:	-166.26
Dipole, Da:	4.15
IP(EA), eV:	-9.34(-0.4)
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]-2-methylbut-2-enyl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C1COCC(N1)C2=CC(=C(C=C2)F)F)O

DOS

IR

Vibrations