Geometry & MOs

Info

ID:	415850
PubChem CID:	135088852
Reduced:	NO2F3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	-237.57
Dipole, Da:	4.62
IP(EA), eV:	-9.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CC3=CC=CC=C3C(F)(F)F)OCC1

DOS

IR

Vibrations