Geometry & MOs

Info

ID:	186844
PubChem CID:	77492810
Reduced:	ClN3O3C9H10 (1)
Stoich.:	AB3C3D9E10 (1)
Weight, g/mol:	506.157718
ΔH_f, kcal/mol:	-100.36
Dipole, Da:	4.5
IP(EA), eV:	-9.59(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[7-fluoro-3-(trifluoromethyl)-2,3-dihydro-1-benzofuran-4-yl]oxy]propan-2-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

Drug info:

PubChemData

Smile

C1C(CC(=O)NC1C(=O)O)N2C=C(N=C2)Cl

DOS

IR

Vibrations