Geometry & MOs

Info

ID:	414714
PubChem CID:	135087673
Reduced:	ON2F3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-182.88
Dipole, Da:	4.94
IP(EA), eV:	-8.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C=CC2=N1)C(F)(F)F)N3CCC[C@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations