Geometry & MOs

Info

ID:	414948
PubChem CID:	135087928
Reduced:	NSO5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-225.01
Dipole, Da:	4.7
IP(EA), eV:	-9.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyphenyl)-1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]ethanone

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations