Geometry & MOs

Info

ID:	331951
PubChem CID:	127250237
Reduced:	ClN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	5.62
IP(EA), eV:	-9.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylpyrimidin-5-yl)-[2-[5-[(2-ethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations