Geometry & MOs

Info

ID:	3781
PubChem CID:	10172
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	-50.02
Dipole, Da:	7.19
IP(EA), eV:	-8.29(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxa-10-azatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),13(17),14-tetraen-4-one

Drug info:

PubChemData

Smile

C1CN2CCC3=C2C(=CC=C3)C4=C1COC(=O)C4

DOS

IR

Vibrations