Geometry & MOs

Info

ID:	426253
PubChem CID:	135142938
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	-12.2
Dipole, Da:	3.11
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethenyl-1,6-dimethyl-2-[(Z)-pent-3-enyl]imidazo[4,5-c]pyridine

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)C(=O)CC2=NC3=CN=C4C(=C3N2C5CCC(CC5)CC#N)C=CN4

DOS

IR

Vibrations