Geometry & MOs

Info

ID:	364398
PubChem CID:	127315575
Reduced:	ON4C23H34 (1)
Stoich.:	AB4C23D34 (1)
Weight, g/mol:	391.233188
ΔH_f, kcal/mol:	-37.64
Dipole, Da:	5.24
IP(EA), eV:	-8.17(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[2-(4-ethylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC(=O)C2=CC3=C(C=C2)NC4=C3CC(CC4)C

DOS

IR

Vibrations