Geometry & MOs

Info

ID:	59144
PubChem CID:	24771201
Reduced:	O4C11H14 (2)
Stoich.:	A4B11C14 (2)
Weight, g/mol:	311.105862
ΔH_f, kcal/mol:	-260.08
Dipole, Da:	5.48
IP(EA), eV:	-9.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-phenyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one

Drug info:

PubChemData

Smile

C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)OOC)C)C4=COC=C4

DOS

IR

Vibrations