Geometry & MOs

Info

ID:	121641
PubChem CID:	50775699
Reduced:	FO4N6H23C24 (1)
Stoich.:	AB4C6D23E24 (1)
Weight, g/mol:	506.207782
ΔH_f, kcal/mol:	-125.14
Dipole, Da:	3.68
IP(EA), eV:	-9.34(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N4C1=NN(C4=O)CC(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations