Geometry & MOs

Info

ID:	123185
PubChem CID:	50836668
Reduced:	O2N3C12H15 (2)
Stoich.:	A2B3C12D15 (2)
Weight, g/mol:	454.232853
ΔH_f, kcal/mol:	-132.4
Dipole, Da:	6.43
IP(EA), eV:	-9.37(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(cyclopentylamino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CCN2C(=O)C3=CC=CC=C3N4C2=NN(C4=O)CC(=O)NC5CCCC5

DOS

IR

Vibrations