Geometry & MOs

Info

ID:	135588
PubChem CID:	51897693
Reduced:	FSO2N4C20H22 (1)
Stoich.:	ABC2D4E20F22 (1)
Weight, g/mol:	143.142248
ΔH_f, kcal/mol:	-1.81
Dipole, Da:	7.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.947390
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1,4-dimethylpiperazin-2-yl]methanamine

Drug info:

PubChemData

Smile

C1C[NH+](CCC1C(=O)NCC2=CC=C(C=C2)F)CC3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations