Geometry & MOs

Info

ID:	67795
PubChem CID:	46507178
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-75.13
Dipole, Da:	1.78
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-(2-methylpropyl)-1,5-dioxo-2H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)OCCCN1C(=O)C2=CC=CC=C2N3C1=NNC3=O

DOS

IR

Vibrations