Geometry & MOs

Info

ID:	212369
PubChem CID:	81060288
Reduced:	BrSF2N3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	273.195346
ΔH_f, kcal/mol:	-44.24
Dipole, Da:	3.76
IP(EA), eV:	-8.74(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C(=S)N)NC2=C(C=C(C=C2Br)F)F

DOS

IR

Vibrations