Geometry & MOs

Info

ID:	386501
PubChem CID:	134981948
Reduced:	OC5H7 (4)
Stoich.:	AB5C7 (4)
Weight, g/mol:	348.136159
ΔH_f, kcal/mol:	-125.71
Dipole, Da:	4.35
IP(EA), eV:	-9.5(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-acetyloxy-10b,10c-dimethylpyren-2-yl) acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)C=C1C)C(=O)C(C)(C)C)OCC(=O)C(C)(C)C

DOS

IR

Vibrations