Geometry & MOs

Info

ID:	435403
PubChem CID:	135191371
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	371.114903
ΔH_f, kcal/mol:	-42.67
Dipole, Da:	2.36
IP(EA), eV:	-9.39(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-[[(1S)-4-phenyl-3,5-dioxabicyclo[5.1.0]octan-1-yl]methyl]purin-2-amine

Drug info:

PubChemData

Smile

CCCC(=C)C(CCN=O)CO

DOS

IR

Vibrations