Geometry & MOs

Info

ID:	305812
PubChem CID:	124970225
Reduced:	NO4C18H25 (1)
Stoich.:	AB4C18D25 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-162.05
Dipole, Da:	7.97
IP(EA), eV:	-9.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCCOC12CCN(CC2)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations