Geometry & MOs

Info

ID:	49692
PubChem CID:	11533559
Reduced:	Cl2O2N4H26C27 (1)
Stoich.:	A2B2C4D26E27 (1)
Weight, g/mol:	509.250084
ΔH_f, kcal/mol:	-1.16
Dipole, Da:	1.25
IP(EA), eV:	-8.52(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]phenothiazin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN1CCC(C1)CN(C)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)C5=C(C=C(C=C5)Cl)Cl

DOS

IR

Vibrations