Geometry & MOs

Info

ID:	338263
PubChem CID:	127258955
Reduced:	BrN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	283.085432
ΔH_f, kcal/mol:	-49.42
Dipole, Da:	2.66
IP(EA), eV:	-9.33(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-cyanopiperazine-1-carboxylate;dihydrochloride

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC1=C2C=C(C=CC2=NC=C1)Br

DOS

IR

Vibrations