Geometry & MOs

Info

ID:	121032
PubChem CID:	50753826
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	18.57
Dipole, Da:	6.96
IP(EA), eV:	-9.05(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-5-methyl-4-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=NC(=N2)C3=CC=CC=C3)N1CC(=O)N4CCCCC4)CC5=CC=CC=C5

DOS

IR

Vibrations