Geometry & MOs

Info

ID:	165906
PubChem CID:	74612428
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	439.155235
ΔH_f, kcal/mol:	-146.96
Dipole, Da:	4.13
IP(EA), eV:	-8.93(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]methyl]-4aH-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COCCN1C(C(C(=O)NC1=O)C(=O)CN(CC2=CC=CC=C2)C3=CC=C(C=C3)OC)N

DOS

IR

Vibrations