Geometry & MOs

Info

ID:	55375
PubChem CID:	17395308
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	367.120192
ΔH_f, kcal/mol:	-95.18
Dipole, Da:	5.06
IP(EA), eV:	-8.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-prop-2-enylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1=CC=CO1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)OC

DOS

IR

Vibrations