Geometry & MOs

Info

ID:	168728
PubChem CID:	75009602
Reduced:	N5O5C34H41 (1)
Stoich.:	A5B5C34D41 (1)
Weight, g/mol:	401.102145
ΔH_f, kcal/mol:	-162.26
Dipole, Da:	4.57
IP(EA), eV:	-9.15(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)N

DOS

IR

Vibrations