Geometry & MOs

Info

ID:	16948
PubChem CID:	480857
Reduced:	OC6H6 (4)
Stoich.:	AB6C6 (4)
Weight, g/mol:	376.167459
ΔH_f, kcal/mol:	-125.72
Dipole, Da:	3.57
IP(EA), eV:	-8.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-acetyl-4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)[C@H]2CC3=C(C4=C(C=C3)OC(C=C4)(C)C)OC2)C(=O)C

DOS

IR

Vibrations