Geometry & MOs

Info

ID:	343015
PubChem CID:	127266178
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	29.01
Dipole, Da:	3.06
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-aminopyrrolidin-1-yl]-(2-cyclohexyloxypyridin-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=CC=C2)CCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations