Geometry & MOs

Info

ID:	222510
PubChem CID:	85300980
Reduced:	NO5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	360.120903
ΔH_f, kcal/mol:	-228.32
Dipole, Da:	4.76
IP(EA), eV:	-9.42(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2CC3(C=CC2(C1)CCC=O)OCCO3

DOS

IR

Vibrations