Geometry & MOs

Info

ID:	183340
PubChem CID:	77010046
Reduced:	BrSO2N3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	18.79
Dipole, Da:	7.52
IP(EA), eV:	-8.8(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[2-[amino(nitroso)methylidene]piperidin-4-yl]methyl]piperidin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC2NC(=C3C=CC(=CC3=O)Br)ON2

DOS

IR

Vibrations