Geometry & MOs

Info

ID:	417344
PubChem CID:	135092500
Reduced:	NO5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-208.28
Dipole, Da:	3.29
IP(EA), eV:	-8.98(0.04)
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]-(2-phenylphenyl)methanone

Drug info:

PubChemData

Smile

COCCOC1=CC=C(C=C1)CNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations