Geometry & MOs

Info

ID:	188760
PubChem CID:	77762470
Reduced:	ClON5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	768.301528
ΔH_f, kcal/mol:	26.14
Dipole, Da:	5.32
IP(EA), eV:	-9.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone

Drug info:

PubChemData

Smile

C1C2C(CC(=CCC#N)C1Cl)C(=O)NC(=N2)C3=NC=CN3

DOS

IR

Vibrations