Geometry & MOs

Info

ID:	2146
PubChem CID:	6003
Reduced:	SN2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	313.173845
ΔH_f, kcal/mol:	69.38
Dipole, Da:	3.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751242
Charge, e:	1

Chem-info

IUPAC name:

ethyl-dimethyl-(2-phenothiazin-10-ylpropyl)azanium

Drug info:

PubChemData

Smile

CC[N+](C)(C)CC(C)N1C2=CC=CC=C2SC3=CC=CC=C31

DOS

IR

Vibrations