Geometry & MOs

Info

ID:	290458
PubChem CID:	104570554
Reduced:	NS2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	201.126598
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	7.75
IP(EA), eV:	-9.08(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,8-triazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)CSCC(=O)O

DOS

IR

Vibrations