Geometry & MOs

Info

ID:	371930
PubChem CID:	131280662
Reduced:	Cl2N2H10C11 (1)
Stoich.:	A2B2C10D11 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	52.56
Dipole, Da:	1.84
IP(EA), eV:	-9.69(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(furan-2-yl)-3-propan-2-ylimidazol-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CC1[C@H](C2=C(C=C(C=C2Cl)C#N)Cl)N

DOS

IR

Vibrations