Geometry & MOs

Info

ID:	323667
PubChem CID:	126675694
Reduced:	ClSO2N3C27H28 (1)
Stoich.:	ABC2D3E27F28 (1)
Weight, g/mol:	374.196743
ΔH_f, kcal/mol:	16.16
Dipole, Da:	5.53
IP(EA), eV:	-8.87(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=C(O3)C(=O)NC4(CCCCC4)CNC5(CC5)C#N)Cl

DOS

IR

Vibrations