Geometry & MOs

Info

ID:	375729
PubChem CID:	134221089
Reduced:	FPO6N7C18H28 (1)
Stoich.:	ABC6D7E18F28 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	-286.86
Dipole, Da:	5.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760966
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3(8),9-triene

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC(C)C)N[P+](=O)OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O

DOS

IR

Vibrations