Geometry & MOs

Info

ID:	225351
PubChem CID:	85756503
Reduced:	NO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	203.040485
ΔH_f, kcal/mol:	48.12
Dipole, Da:	5.11
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-thia-10-azatetracyclo[7.4.0.01,12.02,6]trideca-2,8,11-trien-13-one

Drug info:

PubChemData

Smile

C1C=C2C3(C4=CCOC41)C(=CN2)C3=O

DOS

IR

Vibrations