Geometry & MOs

Info

ID:	313334
PubChem CID:	126613881
Reduced:	FO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	377.183838
ΔH_f, kcal/mol:	-89.29
Dipole, Da:	1.7
IP(EA), eV:	-9.06(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-[(E)-3,5-dioxohex-1-enyl]-2-methoxyphenoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

COC1=CN=C2C=CC(=C(C2=N1)CN[C@H]3CCCC[C@H]3O)F

DOS

IR

Vibrations