Geometry & MOs

Info

ID:	398274
PubChem CID:	135032628
Reduced:	FMnNH3C7 (1)
Stoich.:	ABCD3E7 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	120.47
Dipole, Da:	5.48
IP(EA), eV:	-8.39(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-1-(4-methoxyphenyl)-3-[4-(4-propan-2-ylphenyl)triazol-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C1=C[C-]=C(C(=C1)C#N)F.[Mn]

DOS

IR

Vibrations