Geometry & MOs

Info

ID:	291951
PubChem CID:	113911187
Reduced:	BrON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	268.109089
ΔH_f, kcal/mol:	25.23
Dipole, Da:	5.79
IP(EA), eV:	-9.47(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-[3-chloro-2-(3,4-dimethylpyrrolidin-1-yl)-1H-pyridin-4-ylidene]-nitrosomethanamine

Drug info:

PubChemData

Smile

CN1C=C(N=N1)CC(CO)C2=CC(=CC=C2)Br

DOS

IR

Vibrations