Geometry & MOs

Info

ID:	121606
PubChem CID:	50774983
Reduced:	O2N3C12H15 (2)
Stoich.:	A2B3C12D15 (2)
Weight, g/mol:	501.198774
ΔH_f, kcal/mol:	-114.19
Dipole, Da:	2.98
IP(EA), eV:	-9.41(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-1,5-dioxo-4-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NN(C(=O)N23)CC(=O)NC4CCCCC4)CC=C

DOS

IR

Vibrations