Geometry & MOs

Info

ID:	437635
PubChem CID:	135226742
Reduced:	N2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	427.238353
ΔH_f, kcal/mol:	-9.55
Dipole, Da:	2.68
IP(EA), eV:	-9.05(2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC2(C1)CCN(C2)N

DOS

IR

Vibrations