Geometry & MOs

Info

ID:	121636
PubChem CID:	50775586
Reduced:	FO2N3C12H12 (2)
Stoich.:	AB2C3D12E12 (2)
Weight, g/mol:	482.146931
ΔH_f, kcal/mol:	-184.44
Dipole, Da:	4.16
IP(EA), eV:	-9.36(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-[2-(2-chloroanilino)-2-oxoethyl]-4-methyl-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C)N3C1=NN(C3=O)CC(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations