Geometry & MOs

Info

ID:	391727
PubChem CID:	135008969
Reduced:	IO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	416.27153
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	4.96
IP(EA), eV:	-9.42(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-tert-butyl-3-(3,3-dimethylbut-1-en-2-yloxy)-4-methyl-4-[(E)-3-phenylprop-2-enyl]chromene

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2CCC23C(=C1)CC4=C3C=CC=C4I)C(=O)OCC

DOS

IR

Vibrations