Geometry & MOs

Info

ID:	399196
PubChem CID:	135038622
Reduced:	IO5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	176.156501
ΔH_f, kcal/mol:	-188.01
Dipole, Da:	2.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.874277
Charge, e:	0

Chem-info

IUPAC name:

3-pentyl-1-prop-1-ynylcyclopentene

Drug info:

PubChemData

Smile

C1CC[O+](C1)I2(C3=CC=CC=C3C(=O)O2)(O)O

DOS

IR

Vibrations