Geometry & MOs

Info

ID:	302890
PubChem CID:	124398063
Reduced:	NOC3H4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-43.13
Dipole, Da:	2.22
IP(EA), eV:	-11.24(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-benzylpiperazin-1-yl)-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

C(C#N)[C@H]([C@@H](CC#N)O)O

DOS

IR

Vibrations