Geometry & MOs

Info

ID:	444990
PubChem CID:	135264165
Reduced:	FSN3C27H30 (1)
Stoich.:	ABC3D27E30 (1)
Weight, g/mol:	445.218784
ΔH_f, kcal/mol:	18.61
Dipole, Da:	4.56
IP(EA), eV:	-7.52(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-methylphenothiazine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations