Geometry & MOs

Info

ID:	160713
PubChem CID:	57389527
Reduced:	O5C29H46 (1)
Stoich.:	A5B29C46 (1)
Weight, g/mol:	253.022974
ΔH_f, kcal/mol:	-253.18
Dipole, Da:	3.79
IP(EA), eV:	-9.06(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-7-chloro-2-methyl-2-(trifluoromethyl)-3,8-dihydroimidazo[1,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCCC/C=C/C=C/C1C(/C=C/[C@@H](CC2CCCC(O2)CC3CC(CC(O3)CC(=O)O1)O)C)C

DOS

IR

Vibrations