Geometry & MOs

Info

ID:	30799
PubChem CID:	841930
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	26.52
Dipole, Da:	3.85
IP(EA), eV:	-9.3(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C(=O)NC2=C(CCC2)C#N

DOS

IR

Vibrations