Geometry & MOs

Info

ID:	381781
PubChem CID:	134972610
Reduced:	CrO3C16H18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	286.120509
ΔH_f, kcal/mol:	-66.26
Dipole, Da:	6.92
IP(EA), eV:	-7.06(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(4-hydroxy-2,6-dimethylphenyl)-4H-1,3-dioxin-5-yl]-3-methylcyclobut-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=[Cr])OCOCC#CC(=C)C)C)O

DOS

IR

Vibrations