Geometry & MOs

Info

ID:	121602
PubChem CID:	50774781
Reduced:	F2O4N5C25H25 (1)
Stoich.:	A2B4C5D25E25 (1)
Weight, g/mol:	509.187461
ΔH_f, kcal/mol:	-182.37
Dipole, Da:	6.03
IP(EA), eV:	-9.28(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[2-(2,4-difluorophenyl)-2-oxoethyl]-1,5-dioxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)CC)N3C1=NN(C3=O)CC(=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations