Geometry & MOs

Info

ID:	126760
PubChem CID:	50977277
Reduced:	OSN3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	400.201159
ΔH_f, kcal/mol:	18.18
Dipole, Da:	3.31
IP(EA), eV:	-8.45(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]-1-pyridin-4-ylethyl]morpholine

Drug info:

PubChemData

Smile

CC(C1=NC=CS1)N(C)C(=O)CCC2=CNC3=CC=CC=C32

DOS

IR

Vibrations