Geometry & MOs

Info

ID:

85241

PubChem CID:

49872814

Reduced:

PN8O9C38H61 (1)

Stoich.:

AB8C9D38E61 (1)

Weight, g/mol:

348.158626

ΔHf, kcal/mol:

-474.25

Dipole, Da:

5.63

IP(EA), eV:

 -9.3(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-methoxyethyl)-5-[2-methyl-4-[2-(3-methylphenyl)ethynyl]imidazol-1-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

C[C@@H](CP(=O)(O)OCCCCCCCC1=CC=CC=C1)[C@@H](C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3

DOS

IR

Vibrations