Geometry & MOs

Info

ID:	331887
PubChem CID:	127250173
Reduced:	ClO2N4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-9.32
Dipole, Da:	2.09
IP(EA), eV:	-8.99(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1CC(=O)NCC2=CC=CC=N2)C3=NC=C(C=C3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations