Geometry & MOs

Info

ID:	332348
PubChem CID:	127250634
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	341.131031
ΔH_f, kcal/mol:	64.8
Dipole, Da:	2.87
IP(EA), eV:	-9.1(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[6-(1H-pyrazol-4-yl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=CC=CC(=N3)C4=CN=CN=C4

DOS

IR

Vibrations