Geometry & MOs

Info

ID:	420563
PubChem CID:	135113954
Reduced:	FNO4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-177.88
Dipole, Da:	3.44
IP(EA), eV:	-9.16(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-[2-(2-methylphenoxy)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations