Geometry & MOs

Info

ID:	85236
PubChem CID:	49872682
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	338.093439
ΔH_f, kcal/mol:	35.72
Dipole, Da:	2.42
IP(EA), eV:	-8.83(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-(3-chlorophenyl)ethynyl]-2,5-dimethylimidazol-1-yl]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC(=CC=C1)OC)C2=CC=CC(=C2)C3=NNN=N3

DOS

IR

Vibrations