Geometry & MOs

Info

ID:	227496
PubChem CID:	87561853
Reduced:	O3C17H18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	298.07931
ΔH_f, kcal/mol:	-30.79
Dipole, Da:	4.11
IP(EA), eV:	-9.39(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-(4-tert-butylpiperazin-1-yl)pyrazine

Drug info:

PubChemData

Smile

CC(=C)C=C.C=CC1=CC=CC=C1.C1=CC(=O)OC1=O

DOS

IR

Vibrations