Geometry & MOs

Info

ID:	30018
PubChem CID:	838903
Reduced:	NO5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	220.074896
ΔH_f, kcal/mol:	-192.61
Dipole, Da:	2.83
IP(EA), eV:	-9.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-imidazo[4,5-b]pyridin-2-yl)benzonitrile

Drug info:

PubChemData

Smile

C1[C@@H](OC(=O)[C@H]1NC(=O)OCC2=CC=CC=C2)CO

DOS

IR

Vibrations