Geometry & MOs

Info

ID:	324173
PubChem CID:	126677067
Reduced:	OPN7C11H18 (1)
Stoich.:	ABC7D11E18 (1)
Weight, g/mol:	356.149793
ΔH_f, kcal/mol:	39.64
Dipole, Da:	3.4
IP(EA), eV:	-8.65(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-(quinolin-6-ylmethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=C(C(=C(N=C1N)NN)N)CC2=CN(N=C2)C(CO)P

DOS

IR

Vibrations