Geometry & MOs

Info

ID:	215976
PubChem CID:	85085529
Reduced:	NPO3C8H18 (1)
Stoich.:	ABC3D8E18 (1)
Weight, g/mol:	207.021481
ΔH_f, kcal/mol:	-206.93
Dipole, Da:	2.88
IP(EA), eV:	-9.43(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-amino-7-thia-3,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1,3,5,10-tetraen-9-one

Drug info:

PubChemData

Smile

COP(=O)(C)OC1CCCCC1N

DOS

IR

Vibrations