Geometry & MOs

Info

ID:	222523
PubChem CID:	85305391
Reduced:	O8C17H24 (1)
Stoich.:	A8B17C24 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-309.21
Dipole, Da:	2.19
IP(EA), eV:	-10.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-[(2-methoxy-1-phenylethyl)amino]ethanol

Drug info:

PubChemData

Smile

CCOC(=O)C(C)OC(=O)C1=C(C1(C)C)C(=O)OC(C)C(=O)OCC

DOS

IR

Vibrations