Geometry & MOs

Info

ID:	445727
PubChem CID:	135269116
Reduced:	ClO2N4C30H37 (1)
Stoich.:	AB2C4D30E37 (1)
Weight, g/mol:	456.149908
ΔH_f, kcal/mol:	-34.7
Dipole, Da:	3.53
IP(EA), eV:	-9.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[8-(4-chlorophenoxy)-3-methyl-2,6-dimethylidene-7-[(5-methyl-1,3-thiazol-2-yl)methyl]purin-1-yl]propan-1-amine

Drug info:

PubChemData

Smile

CCCCCN(C)C(=O)C1=C(N=C(N1CC2=CC=C(C=C2)Cl)CCCCC3=CC(=CC=C3)C=C)NC=O

DOS

IR

Vibrations