Geometry & MOs

Info

ID:	405217
PubChem CID:	135073052
Reduced:	OH9C10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-43.43
Dipole, Da:	1.66
IP(EA), eV:	-8.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[3-(2-phenylcyclopenten-1-yl)propyl]propanedioate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC2=CC=CC3=C2C(=CC=C3)C(=O)O)C

DOS

IR

Vibrations