Geometry & MOs

Info

ID:	28346
PubChem CID:	827131
Reduced:	O2N3H11C14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	326.145285
ΔH_f, kcal/mol:	70.48
Dipole, Da:	9.27
IP(EA), eV:	-9.75(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=NC3=C2C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations