Geometry & MOs

Info

ID:	22787
PubChem CID:	598712
Reduced:	O3C14H14 (1)
Stoich.:	A3B14C14 (1)
Weight, g/mol:	230.094294
ΔH_f, kcal/mol:	-4.71
Dipole, Da:	4.35
IP(EA), eV:	-9.41(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-5-methyl-5-phenyl-7-oxabicyclo[4.1.0]hept-3-en-2-one

Drug info:

PubChemData

Smile

CC1(C=CC(=O)C2(C1O2)OC)C3=CC=CC=C3

DOS

IR

Vibrations