Geometry & MOs

Info

ID:	335705
PubChem CID:	127254567
Reduced:	SN2O2C12H12 (2)
Stoich.:	AB2C2D12E12 (2)
Weight, g/mol:	392.148455
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	12.52
IP(EA), eV:	-8.13(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(phenoxymethyl)-7-(2,3,4-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=CS3)C4=CC=CC=C4)N5CCCCS5(=O)=O

DOS

IR

Vibrations