Geometry & MOs

Info

ID:	294811
PubChem CID:	117497606
Reduced:	N2O4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	312.164934
ΔH_f, kcal/mol:	-82.89
Dipole, Da:	11.3
IP(EA), eV:	-8.93(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(1,1-difluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]ethyl]piperazine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=C(C=CC3=C2C=C(C=C3)OC)OC

DOS

IR

Vibrations