Geometry & MOs

Info

ID:	121642
PubChem CID:	50775700
Reduced:	FO4N6C26H27 (1)
Stoich.:	AB4C6D26E27 (1)
Weight, g/mol:	440.217203
ΔH_f, kcal/mol:	-137.95
Dipole, Da:	1.32
IP(EA), eV:	-9.53(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-methyl-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

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCCC3)N4C1=NN(C4=O)CC(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations