Geometry & MOs

Info

ID:	347967
PubChem CID:	127273029
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	347.220892
ΔH_f, kcal/mol:	-115.41
Dipole, Da:	7.27
IP(EA), eV:	-8.35(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=CC=C1)NC(=O)C2CCCO2)N3CCN(CC3)C

DOS

IR

Vibrations