Geometry & MOs

Info

ID:	181233
PubChem CID:	76719062
Reduced:	FN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	533.251243
ΔH_f, kcal/mol:	-120.12
Dipole, Da:	3.59
IP(EA), eV:	-10.53(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-cyclobutyl-1-(3-cyclopropylpropyl)-3-[4-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)butyl]-4a,5-dihydropyrido[3,4-d]pyrimidin-1-ium-2,4,6,8-tetrone

Drug info:

PubChemData

Smile

CCCC1CC1CCC2=CC(=O)OC3=NC(=NC(=O)C23)C(C)F

DOS

IR

Vibrations