Geometry & MOs

Info

ID:	10294
PubChem CID:	99926
Reduced:	O3H14C16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	254.094294
ΔH_f, kcal/mol:	-30.85
Dipole, Da:	2.41
IP(EA), eV:	-9.62(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2

DOS

IR

Vibrations