Geometry & MOs

Info

ID:	70578
PubChem CID:	48413543
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	378.237939
ΔH_f, kcal/mol:	-78.11
Dipole, Da:	4.44
IP(EA), eV:	-8.42(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2CC2

DOS

IR

Vibrations