Geometry & MOs

Info

ID:	36405
PubChem CID:	8005843
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	265.155218
ΔH_f, kcal/mol:	-15.03
Dipole, Da:	3.35
IP(EA), eV:	-9.47(0.02)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1S,3S,4R)-2-(cyclohexylcarbamoyl)-2-azabicyclo[2.2.1]heptane-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC1)NC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations