Geometry & MOs

Info

ID:	416778
PubChem CID:	135090341
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-48.36
Dipole, Da:	4.63
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

COCCCN1C[C@H]([C@@H](C1)O)CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations