Geometry & MOs

Info

ID:	19980
PubChem CID:	576309
Reduced:	ClO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	306.065887
ΔH_f, kcal/mol:	-127.7
Dipole, Da:	5.85
IP(EA), eV:	-9.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-chloro-3-oxo-4-phenyl-4,4a,7,7a-tetrahydrocyclopenta[c]pyran-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1(C2CC=CC2C(C(=O)O1)C3=CC=CC=C3)Cl

DOS

IR

Vibrations