Geometry & MOs

Info

ID:	26395
PubChem CID:	646426
Reduced:	SN2O6C23H24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-170.94
Dipole, Da:	5.51
IP(EA), eV:	-8.32(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-acetylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations