Geometry & MOs

Info

ID:	324106
PubChem CID:	126676931
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	396.172545
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	4.07
IP(EA), eV:	-8.95(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-2H-chromen-8-yl)-8-(3,4-dihydro-1H-isochromen-4-yl)-4H-chromene

Drug info:

PubChemData

Smile

C1CNCC(C1C2=CC=C(C=C2)OCC3CCOC3)COC4=CC=CC(=C4)C#N

DOS

IR

Vibrations