Geometry & MOs

Info

ID:	402086
PubChem CID:	135054292
Reduced:	O2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	358.097187
ΔH_f, kcal/mol:	-118.83
Dipole, Da:	4.58
IP(EA), eV:	-8.84(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-chlorophenyl)-4-(5-methylfuran-2-carbonyl)cyclopentene-1-carboxylate

Drug info:

PubChemData

Smile

CCC[C@H]1[C@H](C2=C(C1=O)OCCC2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations