Geometry & MOs

Info

ID:	181820
PubChem CID:	76798763
Reduced:	ClO2N5C26H34 (1)
Stoich.:	AB2C5D26E34 (1)
Weight, g/mol:	443.172417
ΔH_f, kcal/mol:	-41.94
Dipole, Da:	4.55
IP(EA), eV:	-9.11(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-1-pentyl-3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-5,7a-dihydro-4aH-pyrrolo[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCCCN1C2C(CC(=N2)Cl)C(=O)N(C1=O)CCCC3=CN(N=C3)CC4=CC(=CC(=C4)C)C

DOS

IR

Vibrations