Geometry & MOs

Info

ID:	332044
PubChem CID:	127250330
Reduced:	ClO2N5H22C24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	367.110296
ΔH_f, kcal/mol:	23.72
Dipole, Da:	5.66
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1,3-thiazol-5-yl)-[2-(5-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=NN12)C(=O)N3CCOC(C3)C4=NC=C(C=C4)C5=CC(=CC=C5)Cl)C

DOS

IR

Vibrations