Geometry & MOs

Info

ID:	143385
PubChem CID:	53200547
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	-84.39
Dipole, Da:	4.6
IP(EA), eV:	-9.21(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3,5-dimethylanilino)-7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=O)C3CCCN3C2=O)CC(=O)NC(C)C4=CC=CC=N4

DOS

IR

Vibrations