Geometry & MOs

Info

ID:	332558
PubChem CID:	127250844
Reduced:	ClN4O4C22H23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	437.206304
ΔH_f, kcal/mol:	-86.54
Dipole, Da:	1.16
IP(EA), eV:	-9.09(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylpyrimidin-5-yl)-[2-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations