Geometry & MOs

Info

ID:	420719
PubChem CID:	135114701
Reduced:	OSN6C12H16 (1)
Stoich.:	ABC6D12E16 (1)
Weight, g/mol:	361.144471
ΔH_f, kcal/mol:	78.84
Dipole, Da:	7.66
IP(EA), eV:	-10.02(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloronaphthalen-1-yl)-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN=NN1CCC(=O)N(CC2=NC=CS2)C3CC3

DOS

IR

Vibrations