Geometry & MOs

Info

ID:	145808
PubChem CID:	53597430
Reduced:	O2F3N5C14H16 (1)
Stoich.:	A2B3C5D14E16 (1)
Weight, g/mol:	326.120132
ΔH_f, kcal/mol:	-155.39
Dipole, Da:	0.98
IP(EA), eV:	-8.72(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)N)COC2=CC=CC=C2OCC(F)(F)F

DOS

IR

Vibrations