Geometry & MOs

Info

ID:	44276
PubChem CID:	10502363
Reduced:	SSiO2C25H30 (1)
Stoich.:	ABC2D25E30 (1)
Weight, g/mol:	296.212673
ΔH_f, kcal/mol:	-53.25
Dipole, Da:	6.51
IP(EA), eV:	-8.27(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-(4,4-dimethylpiperazin-4-ium-1-yl)-7,8,9,10-tetrahydrophenanthridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)[C@@H](C[Si](C)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)O

DOS

IR

Vibrations