Geometry & MOs

Info

ID:	323659
PubChem CID:	126675668
Reduced:	O2N7C23H31 (1)
Stoich.:	A2B7C23D31 (1)
Weight, g/mol:	446.217872
ΔH_f, kcal/mol:	-22.76
Dipole, Da:	4.18
IP(EA), eV:	-8.19(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1CN=C/C(=C\N)/CC2=CC(=NC(=C2N)N)N)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations