Geometry & MOs

Info

ID:	298515
PubChem CID:	117650530
Reduced:	ClON5H14C16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	173.060566
ΔH_f, kcal/mol:	68.94
Dipole, Da:	6.72
IP(EA), eV:	-8.93(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-(hydroxymethyl)-1-(phosphanylidynemethyl)piperidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=C(C=CC=N2)Cl)C(=O)N(C)C3=CN=CC=C3

DOS

IR

Vibrations