Geometry & MOs

Info

ID:	35218
PubChem CID:	7979530
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	300.099774
ΔH_f, kcal/mol:	-146.12
Dipole, Da:	1.38
IP(EA), eV:	-9.21(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxyphenyl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)COC(=O)[C@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations