Geometry & MOs

Info

ID:	318765
PubChem CID:	126653075
Reduced:	O2C5H11 (2)
Stoich.:	A2B5C11 (2)
Weight, g/mol:	283.114319
ΔH_f, kcal/mol:	-201.84
Dipole, Da:	2.24
IP(EA), eV:	-10.11(1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)pyrimidine-5-thiol

Drug info:

PubChemData

Smile

CCC(CC)(COCO)COCOC

DOS

IR

Vibrations