Geometry & MOs

Info

ID:	7189
PubChem CID:	71493
Reduced:	BrOSN2C20H23 (1)
Stoich.:	ABCD2E20F23 (1)
Weight, g/mol:	418.07145
ΔH_f, kcal/mol:	-3.33
Dipole, Da:	7.55
IP(EA), eV:	-8.31(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenothiazin-10-ylpropan-1-one;bromide

Drug info:

PubChemData

Smile

CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)[N+]4(CCCC4)C.[Br-]

DOS

IR

Vibrations