Geometry & MOs

Info

ID:	227803
PubChem CID:	87562533
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	426.269142
ΔH_f, kcal/mol:	-68.48
Dipole, Da:	3.73
IP(EA), eV:	-9.63(0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC(=O)N1CC(=O)NCC#C)C

DOS

IR

Vibrations