Geometry & MOs

Info

ID:	72199
PubChem CID:	48415916
Reduced:	ON3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	409.186238
ΔH_f, kcal/mol:	-3.81
Dipole, Da:	4.97
IP(EA), eV:	-9.14(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3CCC=CC3

DOS

IR

Vibrations