Geometry & MOs

Info

ID:	340314
PubChem CID:	127262325
Reduced:	ClOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-53.89
Dipole, Da:	4.69
IP(EA), eV:	-9.49(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-2,4-bis[(E)-pyran-2-ylidenemethyl]cyclobutan-1-one

Drug info:

PubChemData

Smile

CC(=C[C@@H]1C(=O)[C@@H](C1(C)C)Cl)C

DOS

IR

Vibrations