Geometry & MOs

Info

ID:	245060
PubChem CID:	99437316
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	13.24
Dipole, Da:	2.15
IP(EA), eV:	-8.18(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=CC=C(C=C2)NC(=O)CN3C=CN=C3C4=NC=CN=C4

DOS

IR

Vibrations