Geometry & MOs

Info

ID:	218673
PubChem CID:	85089791
Reduced:	N2O5H26C30 (1)
Stoich.:	A2B5C26D30 (1)
Weight, g/mol:	494.241687
ΔH_f, kcal/mol:	-93.45
Dipole, Da:	2.9
IP(EA), eV:	-9.45(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[4-[2-[5-(aminomethyl)-1-benzofuran-2-yl]-3-methoxy-3-oxopropyl]phenoxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N2C(C(=O)OC(C2C3=CC=CC=C3)C4=CC=CC=C4)CC5=NC=C(C=C5)O

DOS

IR

Vibrations