Geometry & MOs

Info

ID:	437618
PubChem CID:	135226725
Reduced:	NC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	530.290449
ΔH_f, kcal/mol:	3.57
Dipole, Da:	0.55
IP(EA), eV:	-8.26(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[[(2S)-1-amino-3-[2-fluoro-4-[1-(oxetan-3-yl)pyrrolidin-3-yl]phenyl]-1-oxopropan-2-yl]carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CCC2CCCN(C2C1)N

DOS

IR

Vibrations