Geometry & MOs

Info

ID:	445768
PubChem CID:	135269393
Reduced:	FO3N4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	445.257671
ΔH_f, kcal/mol:	-86.52
Dipole, Da:	3.75
IP(EA), eV:	-8.46(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-7-cyclopentyloxy-10-methyl-12-[3-(oxan-2-yloxy)propyl]-8,10,12-triazatricyclo[7.4.0.03,6]trideca-1(9),7-diene-11,13-dione

Drug info:

PubChemData

Smile

CN1C(=C)N(C(=O)C2=C1N=C(N2CC3=CC=C(C=C3)F)CC4=CC=C(C=C4)OC)CCCO

DOS

IR

Vibrations