Geometry & MOs

Info

ID:	260699
PubChem CID:	103200417
Reduced:	ClSO2N4H7C11 (1)
Stoich.:	ABC2D4E7F11 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	47.68
Dipole, Da:	3.97
IP(EA), eV:	-9.78(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(3-methoxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NN2C(=CC=NC2=N1)C3=CC=C(S3)Cl

DOS

IR

Vibrations