Geometry & MOs

Info

ID:	121617
PubChem CID:	50775063
Reduced:	O4N5C25H27 (1)
Stoich.:	A4B5C25D27 (1)
Weight, g/mol:	463.185569
ΔH_f, kcal/mol:	-98.14
Dipole, Da:	3.75
IP(EA), eV:	-9.32(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-[2-(3-methoxyphenyl)-2-oxoethyl]-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=C(C=C(C=C4)C)C)C

DOS

IR

Vibrations