Geometry & MOs

Info

ID:	323602
PubChem CID:	126675557
Reduced:	ON7H21C22 (1)
Stoich.:	AB7C21D22 (1)
Weight, g/mol:	365.196408
ΔH_f, kcal/mol:	129.33
Dipole, Da:	2.71
IP(EA), eV:	-8.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-(3-butoxyphenyl)pyrazol-4-yl]methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)N3C=C(C=N3)CC4=CC(=NC5=C4NNN5)N

DOS

IR

Vibrations