Geometry & MOs

Info

ID:	254386
PubChem CID:	103124915
Reduced:	ClN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	150.079313
ΔH_f, kcal/mol:	7.87
Dipole, Da:	6.76
IP(EA), eV:	-8.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pent-4-yn-2-yl-1H-imidazol-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)C3=CC(=C(C=C3)Cl)OC

DOS

IR

Vibrations