Geometry & MOs

Info

ID:	415220
PubChem CID:	135088212
Reduced:	N3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-89.08
Dipole, Da:	6.03
IP(EA), eV:	-9.05(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2CCN(CC2=O)C3=NOC(=C3C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations