Geometry & MOs

Info

ID:	160693
PubChem CID:	57389455
Reduced:	O2F3N4C18H27 (1)
Stoich.:	A2B3C4D18E27 (1)
Weight, g/mol:	372.17731
ΔH_f, kcal/mol:	-244.4
Dipole, Da:	5.46
IP(EA), eV:	-8.99(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-cyclopentyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCC(CC)CN1C2=NC(=CC(=O)N2C[C@@]1(C)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations