Geometry & MOs

Info

ID:	336003
PubChem CID:	127255010
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	6.89
Dipole, Da:	6.89
IP(EA), eV:	-7.99(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(3-oxopiperazin-1-yl)pentane-1,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(N1CCC(=O)NCC2(CCCCC2)CC3=NN=C4N3C=CC=C4)C

DOS

IR

Vibrations