Geometry & MOs

Info

ID:	166763
PubChem CID:	74731176
Reduced:	ClNO4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	451.210721
ΔH_f, kcal/mol:	-130.7
Dipole, Da:	2.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754743
Charge, e:	0

Chem-info

IUPAC name:

13-(2,4-dihydroxyphenyl)-3,5,10,10-tetramethyl-8-phenyl-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]tridecane-4,6-dione

Drug info:

PubChemData

Smile

C1C(CN(C1=O)CCOC2=CC=CC=C2Cl)C(=O)[O-]

DOS

IR

Vibrations