Geometry & MOs

Info

ID:	419076
PubChem CID:	135107438
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	358.152872
ΔH_f, kcal/mol:	-114.62
Dipole, Da:	4.77
IP(EA), eV:	-8.94(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-(2-methyl-1-benzofuran-7-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4=COC(=N4)CN)OCC2

DOS

IR

Vibrations