Geometry & MOs

Info

ID:	323880
PubChem CID:	126676423
Reduced:	N8C23H32 (1)
Stoich.:	A8B23C32 (1)
Weight, g/mol:	348.181093
ΔH_f, kcal/mol:	85.42
Dipole, Da:	1.31
IP(EA), eV:	-8.09(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(C1)CN(CCN2)C3=CC=CC(=C3)CN=C/C(=C\N)/CC4=CC(=NC(=C4N)N)N

DOS

IR

Vibrations