Geometry & MOs

Info

ID:	442392
PubChem CID:	135251797
Reduced:	FPSO6N7C22H23 (1)
Stoich.:	ABCD6E7F22G23 (1)
Weight, g/mol:	421.255169
ΔH_f, kcal/mol:	-158.55
Dipole, Da:	6.38
IP(EA), eV:	-8.75(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-10-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]phenothiazine

Drug info:

PubChemData

Smile

CCOC1CC(C1)N2C=C(C(=N2)C3=NC(=CC=C3)F)NC(=O)C4=CSC(=N4)C5=CN(N=C5)OCP(=O)(O)O

DOS

IR

Vibrations