Geometry & MOs

Info

ID:	227159
PubChem CID:	87560394
Reduced:	ISiO3C8H19 (1)
Stoich.:	ABC3D8E19 (1)
Weight, g/mol:	487.152351
ΔH_f, kcal/mol:	-224.99
Dipole, Da:	4.2
IP(EA), eV:	-8.73(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[(1Z)-8-chloro-1-(nitrosomethylidene)-2H-isoquinolin-3-yl]ethyl]-9-[(4-methoxyphenyl)methyl]purin-6-amine

Drug info:

PubChemData

Smile

CCCCC([Si](OC)(OC)OC)I

DOS

IR

Vibrations