Geometry & MOs

Info

ID:	232356
PubChem CID:	87576058
Reduced:	FON5H14C17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	272.071845
ΔH_f, kcal/mol:	3.67
Dipole, Da:	11.03
IP(EA), eV:	-8.29(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanesulfonate

Drug info:

PubChemData

Smile

C1=CC2=NC(=O)/C(=C/3\NC4=C(N3)C=C(C=C4)CN)/C(=C2C(=C1)F)N

DOS

IR

Vibrations