Geometry & MOs

Info

ID:	15898
PubChem CID:	454722
Reduced:	SN3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	335.145619
ΔH_f, kcal/mol:	77.23
Dipole, Da:	2.52
IP(EA), eV:	-8.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylpiperazin-1-yl)-4,5-dihydrothieno[2,3-c]acridine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C3CCC4=C(C3=NC5=CC=CC=C52)C=CS4

DOS

IR

Vibrations