Geometry & MOs

Info

ID:	185765
PubChem CID:	77344760
Reduced:	O2F4H28C29 (1)
Stoich.:	A2B4C28D29 (1)
Weight, g/mol:	263.175953
ΔH_f, kcal/mol:	-215.26
Dipole, Da:	2.56
IP(EA), eV:	-9.39(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-5-methylidene-3-non-4-en-4-ylpyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCCCC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C4OCC(CO4)C=CC)F)F)F)F

DOS

IR

Vibrations