Geometry & MOs

Info

ID:	120914
PubChem CID:	50750635
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	-29.26
Dipole, Da:	2.97
IP(EA), eV:	-8.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(2-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations