Geometry & MOs

Info

ID:	416620
PubChem CID:	135089839
Reduced:	ClN6C20H23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	438.17102
ΔH_f, kcal/mol:	78.18
Dipole, Da:	4.01
IP(EA), eV:	-8.54(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,4R)-2-benzyl-2-(morpholine-4-carbonyl)-7-azabicyclo[2.2.1]heptan-7-yl]-(2-chlorophenyl)methanone

Drug info:

PubChemData

Smile

CN1C2=C(C(=CC=C2)Cl)C(=N1)CN3CCCC4(C3)CCC5=CN=C(N=C45)N

DOS

IR

Vibrations