Geometry & MOs

Info

ID:	319821
PubChem CID:	126657355
Reduced:	N4O5C17H18 (1)
Stoich.:	A4B5C17D18 (1)
Weight, g/mol:	162.079313
ΔH_f, kcal/mol:	-142.51
Dipole, Da:	9.83
IP(EA), eV:	-9.17(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(5-methylpyrazin-2-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)N(CCOC(=O)C1=CC(=CN=C1)NC)C2=CN=CC(=C2)C(=O)O

DOS

IR

Vibrations