Geometry & MOs

Info

ID:	10230
PubChem CID:	99135
Reduced:	BrSN2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	402.07653
ΔH_f, kcal/mol:	39.2
Dipole, Da:	3.9
IP(EA), eV:	-7.92(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-10-[2-(1-methylpiperidin-2-yl)ethyl]phenothiazine

Drug info:

PubChemData

Smile

CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Br

DOS

IR

Vibrations