Geometry & MOs

Info

ID:	227907
PubChem CID:	87562948
Reduced:	ClNO2C10H25 (1)
Stoich.:	ABC2D10E25 (1)
Weight, g/mol:	454.300442
ΔH_f, kcal/mol:	-103.05
Dipole, Da:	1.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750722
Charge, e:	1

Chem-info

IUPAC name:

3-N,7-N-bis[2-(diethylamino)ethyl]-3-N,7-N-dimethyl-1,10-dihydrophenothiazin-1-ylium-3,7-diamine

Drug info:

PubChemData

Smile

CCOCC.C[N+](C)(C)CCC(O)Cl

DOS

IR

Vibrations