Geometry & MOs

Info

ID:	418284
PubChem CID:	135104070
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	381.187484
ΔH_f, kcal/mol:	27.09
Dipole, Da:	3.26
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-2-(1,3-thiazol-4-ylmethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC4=NNN=C4C=C3

DOS

IR

Vibrations