Geometry & MOs

Info

ID:	318230
PubChem CID:	126649881
Reduced:	ON2H12C15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	374.196743
ΔH_f, kcal/mol:	56.13
Dipole, Da:	6.12
IP(EA), eV:	-9.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C=N3)C=O

DOS

IR

Vibrations