Geometry & MOs

Info

ID:	433935
PubChem CID:	135174082
Reduced:	O3N8C40H46 (1)
Stoich.:	A3B8C40D46 (1)
Weight, g/mol:	421.166938
ΔH_f, kcal/mol:	-37.93
Dipole, Da:	8.21
IP(EA), eV:	-8.07(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-tert-butyl-2-chloro-6-(dibenzylamino)-7H-purin-8-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations