Geometry & MOs

Info

ID:	126253
PubChem CID:	50957629
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	315.148396
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	3.43
IP(EA), eV:	-8.85(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine

Drug info:

PubChemData

Smile

C1CCC(C1)N2C[C@H]3CNC[C@]3(C2)C(=O)N4CCC(CC4)C(=O)N

DOS

IR

Vibrations