Geometry & MOs

Info

ID:	123188
PubChem CID:	50836728
Reduced:	O2N3C13H15 (2)
Stoich.:	A2B3C13D15 (2)
Weight, g/mol:	490.232853
ΔH_f, kcal/mol:	-109.94
Dipole, Da:	5.76
IP(EA), eV:	-8.67(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C(=O)N3C4=CC=CC=C4C(=O)N(C3=N2)CCC(=O)NCC(C)C)C

DOS

IR

Vibrations