Geometry & MOs

Info

ID:	323563
PubChem CID:	126675477
Reduced:	O3N7C33H39 (1)
Stoich.:	A3B7C33D39 (1)
Weight, g/mol:	367.154544
ΔH_f, kcal/mol:	-9.29
Dipole, Da:	2.96
IP(EA), eV:	-8.35(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC=C(C=C3)COC4COC[C@@H]4NC(=O)C5=C(N=CC(=C5)C6=CN(N=C6)C)N

DOS

IR

Vibrations