Geometry & MOs

Info

ID:	419196
PubChem CID:	135107701
Reduced:	SO2N4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	367.262363
ΔH_f, kcal/mol:	15.69
Dipole, Da:	2.17
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl-methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN(C)CC2=NC(=NO2)COC

DOS

IR

Vibrations