Geometry & MOs

Info

ID:	144588
PubChem CID:	53387060
Reduced:	ClO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	254.085541
ΔH_f, kcal/mol:	-31.06
Dipole, Da:	4.46
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-ethynyl-4-(4-fluorophenyl)imidazol-2-yl]but-3-yn-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[13C]1=C[15N]2C(=[13C]1[13CH3])C(=[15N]C=N2)Cl

DOS

IR

Vibrations