Geometry & MOs

Info

ID:	205631
PubChem CID:	80129387
Reduced:	NF2O3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	312.135304
ΔH_f, kcal/mol:	-210.8
Dipole, Da:	6.14
IP(EA), eV:	-9.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(1-chloroethyl)-6-methoxy-9-(1-methoxy-3-methylbutan-2-yl)purine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C(C)N(C)C2COCC2C(=O)O)F

DOS

IR

Vibrations