Geometry & MOs

Info

ID:	223573
PubChem CID:	85335256
Reduced:	OCl2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	441.169831
ΔH_f, kcal/mol:	-17.59
Dipole, Da:	7.55
IP(EA), eV:	-8.77(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=CC1N2CCC(=CC2)C3=CC=CC=C3)C4NC5C(CC(CC5Cl)Cl)C(=O)N4

DOS

IR

Vibrations