Geometry & MOs

Info

ID:	121619
PubChem CID:	50775065
Reduced:	ClO4N5H22C24 (1)
Stoich.:	AB4C5D22E24 (1)
Weight, g/mol:	451.141117
ΔH_f, kcal/mol:	-79.95
Dipole, Da:	6.19
IP(EA), eV:	-9.35(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methyl]-N-cyclopentyl-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)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations