Geometry & MOs

Info

ID:	129970
PubChem CID:	51074432
Reduced:	ON5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	347.149458
ΔH_f, kcal/mol:	63.12
Dipole, Da:	7.24
IP(EA), eV:	-8.5(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations