Geometry & MOs

Info

ID:	232941
PubChem CID:	87577757
Reduced:	N3O6H21C22 (1)
Stoich.:	A3B6C21D22 (1)
Weight, g/mol:	298.119654
ΔH_f, kcal/mol:	-135.65
Dipole, Da:	5.14
IP(EA), eV:	-9.16(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 4-(3-chloropyrazin-2-yl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(NC2=C1C(=O)CCC2)/C=C/3\C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O

DOS

IR

Vibrations