Geometry & MOs

Info

ID:	437639
PubChem CID:	135226746
Reduced:	N3C7H15 (1)
Stoich.:	A3B7C15 (1)
Weight, g/mol:	412.227454
ΔH_f, kcal/mol:	11.03
Dipole, Da:	3.78
IP(EA), eV:	-8.89(2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1S)-1-cyano-2-[2-fluoro-4-[1-(oxetan-3-yl)pyrrolidin-3-yl]phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

C1CNCC2C1CCN2N

DOS

IR

Vibrations