Geometry & MOs

Info

ID:	148049
PubChem CID:	53787711
Reduced:	O2C21H37 (2)
Stoich.:	A2B21C37 (2)
Weight, g/mol:	174.054161
ΔH_f, kcal/mol:	-230.83
Dipole, Da:	8.91
IP(EA), eV:	-8.43(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxido-2-pyrimidin-2-ylpyrimidin-1-ium

Drug info:

PubChemData

Smile

CCCCCCCCC=CCC(CCCCCC)C1C[C@H](CC2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C2)O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O

DOS

IR

Vibrations