Geometry & MOs

Info

ID:	420476
PubChem CID:	135113328
Reduced:	N3C8H10 (2)
Stoich.:	A3B8C10 (2)
Weight, g/mol:	421.102704
ΔH_f, kcal/mol:	56.93
Dipole, Da:	3.52
IP(EA), eV:	-8.72(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-7-[2-(2-chloro-4-fluorophenyl)acetyl]-N-methyl-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C4=NC=CC(=N4)N

DOS

IR

Vibrations