Geometry & MOs

Info

ID:	221065
PubChem CID:	85256710
Reduced:	O4C15H26 (1)
Stoich.:	A4B15C26 (1)
Weight, g/mol:	270.16198
ΔH_f, kcal/mol:	-221.31
Dipole, Da:	3.29
IP(EA), eV:	-10.07(1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylpropyl 2-(2-ethylidenecyclopentylidene)acetate

Drug info:

PubChemData

Smile

CCC1(C2C3CC(C2C(O1)(CC)O)C(C3O)O)CC

DOS

IR

Vibrations