Geometry & MOs

Info

ID:	331938
PubChem CID:	127250224
Reduced:	OF3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	442.123025
ΔH_f, kcal/mol:	-125.56
Dipole, Da:	3.67
IP(EA), eV:	-8.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[(3-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations