Geometry & MOs

Info

ID:	397848
PubChem CID:	135030837
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	464.163711
ΔH_f, kcal/mol:	35.65
Dipole, Da:	3.47
IP(EA), eV:	-9.3(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-11-methylpentacyclo[9.6.2.02,10.03,8.012,17]nonadeca-3,5,7,12,14,16-hexaene-18,18,19,19-tetracarbonitrile

Drug info:

PubChemData

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C[C@H](CNC(=O)C1=CC=CC=C1)C#CC2=CC=CC=C2

DOS

IR

Vibrations