Geometry & MOs

Info

ID:	80121
PubChem CID:	49833090
Reduced:	O4H7C9 (2)
Stoich.:	A4B7C9 (2)
Weight, g/mol:	440.14193
ΔH_f, kcal/mol:	-279.02
Dipole, Da:	3.72
IP(EA), eV:	-9.76(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OC(=O)CCC(=O)OC(=O)C2=CC=CC=C2O)O

DOS

IR

Vibrations