Geometry & MOs

Info

ID:	332685
PubChem CID:	127250971
Reduced:	ClO3N5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	381.18009
ΔH_f, kcal/mol:	-15.63
Dipole, Da:	4.8
IP(EA), eV:	-9.39(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]morpholine

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CN(CCO3)C(=O)CCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations