Geometry & MOs

Info

ID:	18406
PubChem CID:	540468
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	297.122575
ΔH_f, kcal/mol:	5.77
Dipole, Da:	5.33
IP(EA), eV:	-9.06(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)N=C(N2)NC(=O)C)CC3=CC=CC=C3

DOS

IR

Vibrations