Geometry & MOs

Info

ID:	415553
PubChem CID:	135088549
Reduced:	OF3N3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	350.195405
ΔH_f, kcal/mol:	-142.34
Dipole, Da:	4.48
IP(EA), eV:	-9.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=CC=CC(=N2)C(F)(F)F)OCC3=CC=CC=N3

DOS

IR

Vibrations