Geometry & MOs

Info

ID:	419324
PubChem CID:	135107980
Reduced:	FN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	368.1139
ΔH_f, kcal/mol:	-143.2
Dipole, Da:	5.07
IP(EA), eV:	-9.08(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNC1=NOC(=C1C(=O)O)C2=CC(=C(C=C2)F)OC)N3CCCC3

DOS

IR

Vibrations