Geometry & MOs

Info

ID:	233395
PubChem CID:	89854996
Reduced:	FOSN9C24H32 (1)
Stoich.:	ABCD9E24F32 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	25.89
Dipole, Da:	9.82
IP(EA), eV:	-8.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-7-oxo-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)N[C@@H]3C[C@H]4CCCN4C(C3)(C)C)F)N5C(=NN=N5)SCCO

DOS

IR

Vibrations