Geometry & MOs

Info

ID:	36688
PubChem CID:	8011142
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	283.106925
ΔH_f, kcal/mol:	-212.65
Dipole, Da:	8.13
IP(EA), eV:	-9.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CCS(=O)(=O)C1)NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations