Geometry & MOs

Info

ID:	305940
PubChem CID:	124975199
Reduced:	ON3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	358.211724
ΔH_f, kcal/mol:	-16.94
Dipole, Da:	1.12
IP(EA), eV:	-8.98(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)N2CCO[C@@H](C2)C3=NC=CN=C3N(C)C

DOS

IR

Vibrations