Geometry & MOs

Info

ID:	121618
PubChem CID:	50775064
Reduced:	N5O5C24H25 (1)
Stoich.:	A5B5C24D25 (1)
Weight, g/mol:	479.136032
ΔH_f, kcal/mol:	-115.34
Dipole, Da:	9.25
IP(EA), eV:	-9.23(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-chlorophenyl)-2-oxoethyl]-N-cyclopentyl-4-methyl-1,5-dioxo-[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)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations