Geometry & MOs

Info

ID:	216843
PubChem CID:	85086869
Reduced:	O4H16C19 (1)
Stoich.:	A4B16C19 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-51.9
Dipole, Da:	5.87
IP(EA), eV:	-9.13(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

20-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-12,14,16,18-tetraene-3,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC=C(C#CCOC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations