Geometry & MOs

Info

ID:	80582
PubChem CID:	49835284
Reduced:	O3N9H23C24 (1)
Stoich.:	A3B9C23D24 (1)
Weight, g/mol:	331.175205
ΔH_f, kcal/mol:	61.98
Dipole, Da:	1.47
IP(EA), eV:	-8.34(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3R)-dithiolan-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pentanamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=NN=CC(=C2)OCCOC)C3=C(N=C4N3N=CC=C4)NC5=CC(=CC=C5)O

DOS

IR

Vibrations