Geometry & MOs

Info

ID:	178411
PubChem CID:	76324710
Reduced:	NaS2N3O3H14C18 (1)
Stoich.:	AB2C3D3E14F18 (1)
Weight, g/mol:	369.184112
ΔH_f, kcal/mol:	-73.36
Dipole, Da:	17.45
IP(EA), eV:	-7.51(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-methoxyphenyl)piperazin-1-yl]phenanthridine

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C3=CC=C(S3)/C=C/4\C(=O)NC(=S)[N-]4)C(=O)N1CCO.[Na+]

DOS

IR

Vibrations