Geometry & MOs

Info

ID:	185987
PubChem CID:	77374928
Reduced:	SiN2O5C16H29 (1)
Stoich.:	AB2C5D16E29 (1)
Weight, g/mol:	318.107653
ΔH_f, kcal/mol:	-240.19
Dipole, Da:	5.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752016
Charge, e:	0

Chem-info

IUPAC name:

5-(5-acetyl-2-amino-6-oxopurin-9-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile

Drug info:

PubChemData

Smile

CC1(C(CC(O1)(N2CCC(=O)NC2=O)[Si](C)C)OC(C)(C)C)CO

DOS

IR

Vibrations