Geometry & MOs

Info

ID:	223524
PubChem CID:	85335175
Reduced:	Cl2O2N5C18H27 (1)
Stoich.:	A2B2C5D18E27 (1)
Weight, g/mol:	415.294725
ΔH_f, kcal/mol:	-38.37
Dipole, Da:	3.04
IP(EA), eV:	-8.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-ethyl-4-methylphenyl)methylamino]-7-(5-propoxypentyl)-2,3,4,5-tetrahydro-1H-purin-6-one

Drug info:

PubChemData

Smile

COCCCCCN1C2C(CC(NC2=O)NCC3=CC(=C(C=C3)Cl)Cl)NN1

DOS

IR

Vibrations