Geometry & MOs

Info

ID:	222571
PubChem CID:	85305546
Reduced:	FO3C22H41 (1)
Stoich.:	AB3C22D41 (1)
Weight, g/mol:	373.142641
ΔH_f, kcal/mol:	-258.97
Dipole, Da:	4.28
IP(EA), eV:	-10.07(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(3-hydroxyphenyl)-13-prop-2-enyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC=C(C(CC(=O)OCC)O)F

DOS

IR

Vibrations