Geometry & MOs

Info

ID:	323940
PubChem CID:	126676645
Reduced:	N6H22C31 (1)
Stoich.:	A6B22C31 (1)
Weight, g/mol:	384.202222
ΔH_f, kcal/mol:	178.12
Dipole, Da:	3.42
IP(EA), eV:	-8.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)NC6=CC=NC7=CC=CC=C76

DOS

IR

Vibrations