Geometry & MOs

Info

ID:	395154
PubChem CID:	135024788
Reduced:	Br2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	388.06477
ΔH_f, kcal/mol:	-183.18
Dipole, Da:	4.7
IP(EA), eV:	-9.32(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylethoxy)-2-(cyclopropylmethyl)-5-iodopyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@]([C@H]2C(=C(C(=O)O2)Br)Br)(C(=O)OC(C)(C)C)O

DOS

IR

Vibrations