Geometry & MOs

Info

ID:	379526
PubChem CID:	134440340
Reduced:	FON7C26H28 (1)
Stoich.:	ABC7D26E28 (1)
Weight, g/mol:	332.120115
ΔH_f, kcal/mol:	117.65
Dipole, Da:	7.28
IP(EA), eV:	-8.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

24-methyl-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17,19,21,24-dodecaene

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC=CC3=C(NN(C3=NC(=C2)N)CC4CC4)C5=CC=C(C=C5)F)C)C6(CC6)O

DOS

IR

Vibrations