Geometry & MOs

Info

ID:	385907
PubChem CID:	134980295
Reduced:	OC5H7 (2)
Stoich.:	AB5C7 (2)
Weight, g/mol:	314.22458
ΔH_f, kcal/mol:	-100.39
Dipole, Da:	3.92
IP(EA), eV:	-9.92(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[(1E)-3-methylbuta-1,3-dienyl]-7-pentyl-3,4-dihydrochromen-5-ol

Drug info:

PubChemData

Smile

C1C[C@@H](C(=O)C1)[C@H]2CCCC2=O

DOS

IR

Vibrations