Geometry & MOs

Info

ID:	416111
PubChem CID:	135089119
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	8.6
Dipole, Da:	3.66
IP(EA), eV:	-9.47(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[4-(2-methylpyridin-4-yl)piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCCN(CC2)C(=O)CCC3=CC=NN3C

DOS

IR

Vibrations