Geometry & MOs

Info

ID:	305939
PubChem CID:	124975198
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	358.211724
ΔH_f, kcal/mol:	-7.78
Dipole, Da:	4.67
IP(EA), eV:	-8.93(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCC1=NC(=CC=C1)[C@H]2CCCN2CCC3=CC=CC=C3

DOS

IR

Vibrations