Geometry & MOs

Info

ID:	361098
PubChem CID:	127302014
Reduced:	O2N4C17H32 (1)
Stoich.:	A2B4C17D32 (1)
Weight, g/mol:	363.201888
ΔH_f, kcal/mol:	-112.95
Dipole, Da:	5.93
IP(EA), eV:	-8.76(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(C1)C(=O)NCC2CN(CCN2C)C

DOS

IR

Vibrations