Geometry & MOs

Info

ID:	231196
PubChem CID:	87572925
Reduced:	FN5O5C29H38 (1)
Stoich.:	AB5C5D29E38 (1)
Weight, g/mol:	310.238628
ΔH_f, kcal/mol:	-165.94
Dipole, Da:	2.31
IP(EA), eV:	-8.27(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCC(CC2)NC3=NC4=CC(=C(C=C4C(=N3)N5CCOCC5)OC)OC)OCCF

DOS

IR

Vibrations