Geometry & MOs

Info

ID:	20967
PubChem CID:	586480
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-44.81
Dipole, Da:	3.54
IP(EA), eV:	-8.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,3,5-trimethyl-6-(propylamino)-2H-pyrazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCNC1=C(N=C(C(N1C(=O)C)C)C)C

DOS

IR

Vibrations