Geometry & MOs

Info

ID:	426831
PubChem CID:	135154093
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	404.107375
ΔH_f, kcal/mol:	31.01
Dipole, Da:	4.0
IP(EA), eV:	-9.15(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-5-methyl-6-[4-[(2-methyl-1,3-benzothiazol-5-yl)oxy]piperidin-1-yl]pyrimidin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=CC=C3)C(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations