Geometry & MOs

Info

ID:	181983
PubChem CID:	76822660
Reduced:	ClOF4N7H20C25 (1)
Stoich.:	ABC4D7E20F25 (1)
Weight, g/mol:	452.422946
ΔH_f, kcal/mol:	-110.3
Dipole, Da:	3.35
IP(EA), eV:	-8.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

25-hydroxy-3-methyl-oxacyclononacosan-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=CC(=NC(=N2)NCC3=CN=C(C=C3)Cl)NN=CC4=CC=C(C=C4)OC(F)(F)F)F

DOS

IR

Vibrations