Geometry & MOs

Info

ID:	22101
PubChem CID:	596006
Reduced:	ON2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	178.110613
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	4.08
IP(EA), eV:	-9.89(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butylpyrazin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CN=C(C=N1)C(C)(C)C

DOS

IR

Vibrations