Geometry & MOs

Info

ID:	164817
PubChem CID:	74458239
Reduced:	O3N5C26H39 (1)
Stoich.:	A3B5C26D39 (1)
Weight, g/mol:	470.300539
ΔH_f, kcal/mol:	-135.95
Dipole, Da:	5.47
IP(EA), eV:	-9.13(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,7-dibutyl-2,6-dioxo-4,5-dihydropurin-8-yl)-N-[[4-(dimethylamino)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CCCCN1C2C(N=C1CCC(=O)N(C)CC3=C(C=C(C=C3)C)C)N(C(=O)NC2=O)CCCC

DOS

IR

Vibrations