Geometry & MOs

Info

ID:	77063
PubChem CID:	48425764
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	364.185903
ΔH_f, kcal/mol:	-54.08
Dipole, Da:	1.77
IP(EA), eV:	-9.6(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC2=NC(=C(N=C2C=C1)C)C

DOS

IR

Vibrations