Geometry & MOs

Info

ID:	332655
PubChem CID:	127250941
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	45.93
Dipole, Da:	4.28
IP(EA), eV:	-7.74(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-[[2-ethoxy-5-(methoxymethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-5-yl]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)CC4=CN(C5=C4C=C(C=C5)OC)C(C)C

DOS

IR

Vibrations