Geometry & MOs

Info

ID:	323912
PubChem CID:	126676577
Reduced:	ON3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	327.099921
ΔH_f, kcal/mol:	13.25
Dipole, Da:	5.48
IP(EA), eV:	-9.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NCC2=CN=CN=C2

DOS

IR

Vibrations