Geometry & MOs

Info

ID:	332027
PubChem CID:	127250313
Reduced:	FO2N3H20C25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	396.136845
ΔH_f, kcal/mol:	-14.01
Dipole, Da:	2.65
IP(EA), eV:	-8.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(2-aminopyrimidin-5-yl)pyridin-2-yl]morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=CC3=C2N=CC=C3)C4=NC=C(C=C4)C5=CC=CC=C5F

DOS

IR

Vibrations