Geometry & MOs

Info

ID:	27529
PubChem CID:	821855
Reduced:	ON5H13C15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	73.82
Dipole, Da:	4.18
IP(EA), eV:	-8.57(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=NN4C=CC=NC4=N3

DOS

IR

Vibrations