Geometry & MOs

Info

ID:	28651
PubChem CID:	828794
Reduced:	SN4O4H8C12 (1)
Stoich.:	AB4C4D8E12 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	26.57
Dipole, Da:	1.5
IP(EA), eV:	-9.82(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethoxyphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations