Geometry & MOs

Info

ID:	359811
PubChem CID:	127299855
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	391.07562
ΔH_f, kcal/mol:	2.63
Dipole, Da:	12.27
IP(EA), eV:	-8.76(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCC1=CC(=O)N=C(N1)C2=CN=C(C=C2)N3CCC(C3)N4CCCCC4

DOS

IR

Vibrations