Geometry & MOs

Info

ID:	427716
PubChem CID:	135161638
Reduced:	N2O2H13C14 (2)
Stoich.:	A2B2C13D14 (2)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-34.32
Dipole, Da:	6.22
IP(EA), eV:	-9.36(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1S,1aR,6bR)-5-(2-aminopyridin-4-yl)oxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]acetate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1NC(=O)NC34CC3C4C5=C(C=CC(=C5)OC6=C7CCC(=O)NC7=NC=C6)O

DOS

IR

Vibrations