Geometry & MOs

Info

ID:	332691
PubChem CID:	127250977
Reduced:	O3N6C23H34 (1)
Stoich.:	A3B6C23D34 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	-46.31
Dipole, Da:	7.43
IP(EA), eV:	-8.7(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(methoxymethyl)-4-propan-2-yloxyphenyl]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)CC(=O)N(C4CCCCC4)C(C)C

DOS

IR

Vibrations