Geometry & MOs

Info

ID:	347974
PubChem CID:	127273036
Reduced:	O3N4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	364.247441
ΔH_f, kcal/mol:	-144.31
Dipole, Da:	6.49
IP(EA), eV:	-8.36(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

CC(CNC(=O)CN1C(=O)C2CCCCC2C1=O)N3CCN(CC3)C

DOS

IR

Vibrations