Geometry & MOs

Info

ID:	361106
PubChem CID:	127302022
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-20.77
Dipole, Da:	4.34
IP(EA), eV:	-8.45(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(NC2=C1)C(=O)NCC3CN(CCN3C)C)C

DOS

IR

Vibrations