Geometry & MOs

Info

ID:	123187
PubChem CID:	50836686
Reduced:	ClO4N6C23H23 (1)
Stoich.:	AB4C6D23E23 (1)
Weight, g/mol:	490.232853
ΔH_f, kcal/mol:	-99.53
Dipole, Da:	4.37
IP(EA), eV:	-9.23(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCN1C(=O)C2=CC=CC=C2N3C1=NN(C3=O)CC(=O)NC4=CC=CC=C4Cl

DOS

IR

Vibrations