Geometry & MOs

Info

ID:	420969
PubChem CID:	135115138
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-126.5
Dipole, Da:	5.21
IP(EA), eV:	-9.61(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-(5-phenoxyfuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC=CC=C3N4CCC(=O)NC4=O

DOS

IR

Vibrations