Geometry & MOs

Info

ID:	126804
PubChem CID:	50979604
Reduced:	ClN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	369.15896
ΔH_f, kcal/mol:	-123.02
Dipole, Da:	6.3
IP(EA), eV:	-9.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-phenyl-5-pyridin-4-ylimidazol-1-yl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(C1)C(=O)C2(CCNCC2)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations