Geometry & MOs

Info

ID:	323664
PubChem CID:	126675687
Reduced:	SO4N6C26H26 (1)
Stoich.:	AB4C6D26E26 (1)
Weight, g/mol:	362.196743
ΔH_f, kcal/mol:	-35.01
Dipole, Da:	12.01
IP(EA), eV:	-9.14(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)NC2(CC2)C#N)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CSC(=N5)N6CCNC6=O

DOS

IR

Vibrations