Geometry & MOs

Info

ID:	55709
PubChem CID:	17395910
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	295.14331
ΔH_f, kcal/mol:	-103.61
Dipole, Da:	6.77
IP(EA), eV:	-8.92(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)N2CCNC(=O)C2)OCC3=CC=CC=C3

DOS

IR

Vibrations