Geometry & MOs

Info

ID:	231972
PubChem CID:	87575034
Reduced:	O5C16H26 (1)
Stoich.:	A5B16C26 (1)
Weight, g/mol:	423.178565
ΔH_f, kcal/mol:	-208.37
Dipole, Da:	4.61
IP(EA), eV:	-10.07(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)methyl]-3,3-dimethylpiperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2C(O2)CC1C3(CC4C(O4)CC3C)C.C(=O)(O)O

DOS

IR

Vibrations