Geometry & MOs

Info

ID:	186333
PubChem CID:	77421708
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	421.142641
ΔH_f, kcal/mol:	48.37
Dipole, Da:	5.45
IP(EA), eV:	-8.5(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethenyl-2-naphthalen-1-yl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione

Drug info:

PubChemData

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CCNC1=NC=C(C=N1)C#CC2=CC=C(C=C2)C(C)NC(=O)C

DOS

IR

Vibrations