Geometry & MOs

Info

ID:	121637
PubChem CID:	50775622
Reduced:	ClO4N6C23H23 (1)
Stoich.:	AB4C6D23E23 (1)
Weight, g/mol:	502.232853
ΔH_f, kcal/mol:	-94.49
Dipole, Da:	3.66
IP(EA), eV:	-9.3(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-N-cyclopentyl-1,5-dioxo-2-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NN(C(=O)N23)CC(=O)NC4=CC=CC=C4Cl)C

DOS

IR

Vibrations