Geometry & MOs

Info

ID:	417297
PubChem CID:	135091958
Reduced:	FNO4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-177.83
Dipole, Da:	5.5
IP(EA), eV:	-9.04(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1F)CN2CC[C@]([C@@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations