Geometry & MOs

Info

ID:	67581
PubChem CID:	46506760
Reduced:	SO2N6H16C18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	77.47
Dipole, Da:	7.69
IP(EA), eV:	-9.01(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=C(N=N2)C3=NSC(=N3)NC(=O)C4=CC=CO4)C)C

DOS

IR

Vibrations