Geometry & MOs

Info

ID:	379358
PubChem CID:	134419163
Reduced:	NO4C31H33 (1)
Stoich.:	AB4C31D33 (1)
Weight, g/mol:	402.219495
ΔH_f, kcal/mol:	-13.78
Dipole, Da:	4.02
IP(EA), eV:	-8.23(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-butyl-2-prop-2-enoxyphenyl)-8,8-dimethyl-2H-pyrano[2,3-f]chromene

Drug info:

PubChemData

Smile

CCCC1=CC(=C(C=C1)C2=CC(=C(CC2)C3=COC(C=C3)(C)C)C=C)OCC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations