Geometry & MOs

Info

ID:	224399
PubChem CID:	85342474
Reduced:	PO7C20H25 (1)
Stoich.:	AB7C20D25 (1)
Weight, g/mol:	408.05724
ΔH_f, kcal/mol:	-306.02
Dipole, Da:	5.15
IP(EA), eV:	-9.77(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(bromomethyl)-2-(3,4-dimethoxyphenyl)-5-methoxy-3-methyl-2,3-dihydro-1,4-benzodioxine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(C(P2(=O)O)O)O)OCC3=CC=CC=C3)O

DOS

IR

Vibrations