Geometry & MOs

Info

ID:	27535
PubChem CID:	821866
Reduced:	BrNOSC12H14 (1)
Stoich.:	ABCDE12F14 (1)
Weight, g/mol:	267.11201
ΔH_f, kcal/mol:	-1.81
Dipole, Da:	1.31
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCO)CC1=CSC2=C1C=C(C=C2)Br

DOS

IR

Vibrations