Geometry & MOs

Info

ID:	31120
PubChem CID:	854649
Reduced:	ClON2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	338.115424
ΔH_f, kcal/mol:	2.48
Dipole, Da:	3.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793488
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2,8-dimethyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)chromen-7-one

Drug info:

PubChemData

Smile

C1CCC2=[N+](CC1)C[C@](N2C3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations