Geometry & MOs

Info

ID:	381435
PubChem CID:	134972166
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	146.060589
ΔH_f, kcal/mol:	-173.7
Dipole, Da:	2.95
IP(EA), eV:	-9.66(0.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[cyclopenta-1,4-dien-1-yl(hydroxy)methyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(=O)OC1CC2(CC[C@H]1C(O2)(C)C)C

DOS

IR

Vibrations