Geometry & MOs

Info

ID:	79862
PubChem CID:	49830895
Reduced:	BrClOSN2H6C9 (1)
Stoich.:	ABCDE2F6G9 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	-7.55
Dipole, Da:	4.73
IP(EA), eV:	-8.51(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(7-ethyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1Cl)C(=C(S2)C(=O)N)N)Br

DOS

IR

Vibrations