Geometry & MOs

Info

ID:	4056
PubChem CID:	10660
Reduced:	ClO3N5C24H28 (1)
Stoich.:	AB3C5D24E28 (1)
Weight, g/mol:	469.188067
ΔH_f, kcal/mol:	-42.22
Dipole, Da:	3.13
IP(EA), eV:	-8.85(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations