Geometry & MOs

Info

ID:	159756
PubChem CID:	57288715
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-187.55
Dipole, Da:	3.13
IP(EA), eV:	-8.78(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4H-1,3-benzodioxin-6-ylmethyl)piperazine

Drug info:

PubChemData

Smile

CC(=O)OC(C(=O)NC(C)(CC1=CC=C(C=C1)O)C2=CC=C(C=C2)O)N

DOS

IR

Vibrations