Geometry & MOs

Info

ID:	168898
PubChem CID:	75039349
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-86.04
Dipole, Da:	2.73
IP(EA), eV:	-9.17(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-9-oxo-10-azatetracyclo[8.7.0.02,6.011,16]heptadeca-11,13,15-triene-17-carbonitrile

Drug info:

PubChemData

Smile

CC12CCCC(=O)N3C1C(C4=CC=CC=C43)C(=O)O2

DOS

IR

Vibrations