Geometry & MOs

Info

ID:	405974
PubChem CID:	135076177
Reduced:	IN2O8C22H23 (1)
Stoich.:	AB2C8D22E23 (1)
Weight, g/mol:	140.120115
ΔH_f, kcal/mol:	-274.26
Dipole, Da:	7.37
IP(EA), eV:	-9.15(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-cyclopentylbut-2-en-1-ol

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2[C@@H](C3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC(=C4O)I)O)O)O)C(=O)N)N(C)C)O

DOS

IR

Vibrations