Geometry & MOs

Info

ID:	444992
PubChem CID:	135264168
Reduced:	SN3C27H33 (1)
Stoich.:	AB3C27D33 (1)
Weight, g/mol:	429.223869
ΔH_f, kcal/mol:	126.94
Dipole, Da:	3.66
IP(EA), eV:	-8.15(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-10-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]phenothiazine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3C=CC=CC3N2CCCCN4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations