Geometry & MOs

Info

ID:	185818
PubChem CID:	77352741
Reduced:	O2N4C15H19 (2)
Stoich.:	A2B4C15D19 (2)
Weight, g/mol:	524.285952
ΔH_f, kcal/mol:	-58.19
Dipole, Da:	4.97
IP(EA), eV:	-8.89(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]cyclobutyl]-3-(4-tert-butylphenyl)urea

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)N)CN(C)C5CC(C5)CCC6=NC7=C(N6)C=C(C=C7)C8COC8)C

DOS

IR

Vibrations