Geometry & MOs

Info

ID:	245059
PubChem CID:	99432274
Reduced:	O4N5C23H29 (1)
Stoich.:	A4B5C23D29 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	-95.12
Dipole, Da:	10.86
IP(EA), eV:	-8.41(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-(2-pyrazin-2-ylimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)NCC3=CC=CC=C3CN4CCOCC4

DOS

IR

Vibrations