Geometry & MOs

Info

ID:	337650
PubChem CID:	127258273
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	511.214092
ΔH_f, kcal/mol:	-79.07
Dipole, Da:	3.43
IP(EA), eV:	-7.85(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN(CC)CC(CNC1=C2C(=C(C=C1)NC)C(=O)C3=CC=CC=C3C2=O)O

DOS

IR

Vibrations