Geometry & MOs

Info

ID:	160692
PubChem CID:	57389453
Reduced:	O3C14H20 (2)
Stoich.:	A3B14C20 (2)
Weight, g/mol:	388.208611
ΔH_f, kcal/mol:	-259.74
Dipole, Da:	2.88
IP(EA), eV:	-9.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]\1CC2CCCC(O2)CC3C/C(=C/C(=O)OC)/CC(O3)CC(=O)OC(C(/C=C1)C)/C=C/C=C

DOS

IR

Vibrations