Geometry & MOs

Info

ID:	323655
PubChem CID:	126675662
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	335.149458
ΔH_f, kcal/mol:	-41.29
Dipole, Da:	1.09
IP(EA), eV:	-8.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC=C2C=C(C=CC2=C1)CO

DOS

IR

Vibrations