Geometry & MOs

Info

ID:	245885
PubChem CID:	103025570
Reduced:	BrN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	272.130697
ΔH_f, kcal/mol:	85.3
Dipole, Da:	4.05
IP(EA), eV:	-9.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,1-dioxothiolan-3-yl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(C2=NC=C(C=C2)Br)NN

DOS

IR

Vibrations