Geometry & MOs

Info

ID:	329579
PubChem CID:	126738540
Reduced:	IF3C9H16 (1)
Stoich.:	AB3C9D16 (1)
Weight, g/mol:	456.140925
ΔH_f, kcal/mol:	-186.9
Dipole, Da:	1.24
IP(EA), eV:	-9.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1a-(trifluoromethyl)-1H-cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

Drug info:

PubChemData

Smile

C[C@H](C(C)F)C(CC(C)(F)F)CI

DOS

IR

Vibrations